4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine

C14H21N5S — CID 80982705

IUPAC4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(N(C)Cc2csc(C)n2)n1
InChIInChI=1S/C14H21N5S/c1-5-6-12-17-13(15)9(2)14(18-12)19(4)7-11-8-20-10(3)16-11/h8H,5-7H2,1-4H3,(H2,15,17,18)
InChIKeyNPDNQBLEORSTDB-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.72
Rot. Bonds5

About 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine

4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80982705) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80982705
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(N(C)Cc2csc(C)n2)n1
InChIInChI=1S/C14H21N5S/c1-5-6-12-17-13(15)9(2)14(18-12)19(4)7-11-8-20-10(3)16-11/h8H,5-7H2,1-4H3,(H2,15,17,18)
InChIKeyNPDNQBLEORSTDB-UHFFFAOYSA-N
XLogP2.72
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine 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

4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982639
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811752
4-N-benzyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977163
2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80982568
5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811601
4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986668
4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,5-diamine
CID 79916923
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 81006384
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 80983288
6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 80972553
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,3-diamine
CID 63062920

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80982705) is 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(N(C)Cc2csc(C)n2)n1.
What is the InChIKey of 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is NPDNQBLEORSTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-5-6-12-17-13(15)9(2)14(18-12)19(4)7-11-8-20-10(3)16-11/h8H,5-7H2,1-4H3,(H2,15,17,18).
What are the key properties of 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 291.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).