[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C18H29N6O3S+ — CID 9174282

IUPAC[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCCCn1c(N)c(-c2csc(C[NH+](C)CC(=O)NC(C)C)n2)c(=O)n(C)c1=O
InChIInChI=1S/C18H28N6O3S/c1-6-7-24-16(19)15(17(26)23(5)18(24)27)12-10-28-14(21-12)9-22(4)8-13(25)20-11(2)3/h10-11H,6-9,19H2,1-5H3,(H,20,25)/p+1
InChIKeyXTCIZAZDMMZCIP-UHFFFAOYSA-O
MW409.54 g/mol
LogP-0.80
Rot. Bonds8

About [4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9174282) has the molecular formula C18H29N6O3S+ and a molecular weight of 409.54 g/mol. Its IUPAC name is [4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID9174282
Molecular FormulaC18H29N6O3S+
Molecular Weight409.54 g/mol
Exact Mass409.20
IUPAC Name[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCCCn1c(N)c(-c2csc(C[NH+](C)CC(=O)NC(C)C)n2)c(=O)n(C)c1=O
InChIInChI=1S/C18H28N6O3S/c1-6-7-24-16(19)15(17(26)23(5)18(24)27)12-10-28-14(21-12)9-22(4)8-13(25)20-11(2)3/h10-11H,6-9,19H2,1-5H3,(H,20,25)/p+1
InChIKeyXTCIZAZDMMZCIP-UHFFFAOYSA-O
XLogP-0.80
TPSA116.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-amino-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-2,6-dioxopyrimidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 9119216
6-Amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
CID 17397546
6-Amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione
CID 9421011
6-Amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 16348205
6-Amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9420912
6-Amino-5-[2-(diethylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 17396875
6-Amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione
CID 17461084
2-[4-amino-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-2,6-dioxopyrimidin-1-yl]-N-propylacetamide
CID 25673448
6-Amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
CID 51121071
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 56722453
5-(2-Methyl-1,3-thiazol-4-yl)pyrimidine-2,4(1h,3h)-dione
CID 238867
5-(2-methyl-1,3-thiazol-4-yl)-2,4(1H,3H)-pyrimidinedione hydrochloride
CID 67519693

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9174282) is [4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CCCn1c(N)c(-c2csc(C[NH+](C)CC(=O)NC(C)C)n2)c(=O)n(C)c1=O.
What is the InChIKey of [4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is XTCIZAZDMMZCIP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N6O3S/c1-6-7-24-16(19)15(17(26)23(5)18(24)27)12-10-28-14(21-12)9-22(4)8-13(25)20-11(2)3/h10-11H,6-9,19H2,1-5H3,(H,20,25)/p+1.
What are the key properties of [4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 409.54 g/mol, XLogP of -0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9174282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).