2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide

C19H26N6O2 — CID 137048553

IUPAC2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@@H](C)NC(=O)CN2CCN(c3cc(=O)[nH]c(N)n3)CC2)cc1
InChIInChI=1S/C19H26N6O2/c1-13-3-5-15(6-4-13)14(2)21-18(27)12-24-7-9-25(10-8-24)16-11-17(26)23-19(20)22-16/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,27)(H3,20,22,23,26)/t14-/m1/s1
InChIKeyNNJSAJXVIRZNDF-CQSZACIVSA-N
MW370.46 g/mol
LogP0.66
Rot. Bonds5

About 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide

2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 137048553) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
PubChem CID137048553
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@@H](C)NC(=O)CN2CCN(c3cc(=O)[nH]c(N)n3)CC2)cc1
InChIInChI=1S/C19H26N6O2/c1-13-3-5-15(6-4-13)14(2)21-18(27)12-24-7-9-25(10-8-24)16-11-17(26)23-19(20)22-16/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,27)(H3,20,22,23,26)/t14-/m1/s1
InChIKeyNNJSAJXVIRZNDF-CQSZACIVSA-N
XLogP0.66
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide (CID 137048553) is 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide is Cc1ccc([C@@H](C)NC(=O)CN2CCN(c3cc(=O)[nH]c(N)n3)CC2)cc1.
What is the InChIKey of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is NNJSAJXVIRZNDF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-3-5-15(6-4-13)14(2)21-18(27)12-24-7-9-25(10-8-24)16-11-17(26)23-19(20)22-16/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,27)(H3,20,22,23,26)/t14-/m1/s1.
What are the key properties of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide?
2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 370.46 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 137048553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).