[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate

C12H19N5O3 — CID 175603033

IUPAC[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate
SMILESCn1c(N2CCC(C)(OC(N)=O)CC2)nc(N)cc1=O
InChIInChI=1S/C12H19N5O3/c1-12(20-10(14)19)3-5-17(6-4-12)11-15-8(13)7-9(18)16(11)2/h7H,3-6,13H2,1-2H3,(H2,14,19)
InChIKeyBJYMFULPVCJONA-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.18
Rot. Bonds2

About [1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate

[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate (PubChem CID 175603033) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is [1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate
PubChem CID175603033
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate
SMILESCn1c(N2CCC(C)(OC(N)=O)CC2)nc(N)cc1=O
InChIInChI=1S/C12H19N5O3/c1-12(20-10(14)19)3-5-17(6-4-12)11-15-8(13)7-9(18)16(11)2/h7H,3-6,13H2,1-2H3,(H2,14,19)
InChIKeyBJYMFULPVCJONA-UHFFFAOYSA-N
XLogP-0.18
TPSA116.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate?
The IUPAC name of [1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate (CID 175603033) is [1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate.
What is the SMILES notation for [1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate?
The canonical SMILES for [1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate is Cn1c(N2CCC(C)(OC(N)=O)CC2)nc(N)cc1=O.
What is the InChIKey of [1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate?
The InChIKey is BJYMFULPVCJONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-12(20-10(14)19)3-5-17(6-4-12)11-15-8(13)7-9(18)16(11)2/h7H,3-6,13H2,1-2H3,(H2,14,19).
What are the key properties of [1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate?
[1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate has a molecular weight of 281.32 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl] carbamate is sourced from PubChem (CID 175603033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).