N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C19H33N7O2 — CID 131942741

IUPACN-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCOc1cc(N2CCC(CNC(=O)CN3CCCN(C)CC3)CC2)nc(N)n1
InChIInChI=1S/C19H33N7O2/c1-24-6-3-7-25(11-10-24)14-17(27)21-13-15-4-8-26(9-5-15)16-12-18(28-2)23-19(20)22-16/h12,15H,3-11,13-14H2,1-2H3,(H,21,27)(H2,20,22,23)
InChIKeyBYNXZIDNAHFVFT-UHFFFAOYSA-N
MW391.52 g/mol
LogP0.04
Rot. Bonds6

About N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 131942741) has the molecular formula C19H33N7O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID131942741
Molecular FormulaC19H33N7O2
Molecular Weight391.52 g/mol
Exact Mass391.27
IUPAC NameN-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCOc1cc(N2CCC(CNC(=O)CN3CCCN(C)CC3)CC2)nc(N)n1
InChIInChI=1S/C19H33N7O2/c1-24-6-3-7-25(11-10-24)14-17(27)21-13-15-4-8-26(9-5-15)16-12-18(28-2)23-19(20)22-16/h12,15H,3-11,13-14H2,1-2H3,(H,21,27)(H2,20,22,23)
InChIKeyBYNXZIDNAHFVFT-UHFFFAOYSA-N
XLogP0.04
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide 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 N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 131942741) is N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is COc1cc(N2CCC(CNC(=O)CN3CCCN(C)CC3)CC2)nc(N)n1.
What is the InChIKey of N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is BYNXZIDNAHFVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7O2/c1-24-6-3-7-25(11-10-24)14-17(27)21-13-15-4-8-26(9-5-15)16-12-18(28-2)23-19(20)22-16/h12,15H,3-11,13-14H2,1-2H3,(H,21,27)(H2,20,22,23).
What are the key properties of N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 391.52 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 131942741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).