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

C15H24N6O3 — CID 137122893

IUPAC2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESNc1nc(N2CCN(CC(=O)NC[C@H]3CCCO3)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H24N6O3/c16-15-18-12(8-13(22)19-15)21-5-3-20(4-6-21)10-14(23)17-9-11-2-1-7-24-11/h8,11H,1-7,9-10H2,(H,17,23)(H3,16,18,19,22)/t11-/m1/s1
InChIKeyQOEGQSDWFDAJLP-LLVKDONJSA-N
MW336.40 g/mol
LogP-1.23
Rot. Bonds5

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

2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 137122893) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID137122893
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC Name2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESNc1nc(N2CCN(CC(=O)NC[C@H]3CCCO3)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H24N6O3/c16-15-18-12(8-13(22)19-15)21-5-3-20(4-6-21)10-14(23)17-9-11-2-1-7-24-11/h8,11H,1-7,9-10H2,(H,17,23)(H3,16,18,19,22)/t11-/m1/s1
InChIKeyQOEGQSDWFDAJLP-LLVKDONJSA-N
XLogP-1.23
TPSA116.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 91831331
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124852044
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16810440
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78835198
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 90561775
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2200753
2-[(3R)-3-aminopyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129381630
2-(4-formylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 62655740
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 60504183

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 137122893) is 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Nc1nc(N2CCN(CC(=O)NC[C@H]3CCCO3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is QOEGQSDWFDAJLP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N6O3/c16-15-18-12(8-13(22)19-15)21-5-3-20(4-6-21)10-14(23)17-9-11-2-1-7-24-11/h8,11H,1-7,9-10H2,(H,17,23)(H3,16,18,19,22)/t11-/m1/s1.
What are the key properties of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of -1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 137122893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).