N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide

C14H23N7O3 — CID 118591460

IUPACN-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(N2CCN(C(=O)[C@@H](N)CCN)CC2)c(=O)[nH]1
InChIInChI=1S/C14H23N7O3/c1-9(22)18-14-17-8-11(12(23)19-14)20-4-6-21(7-5-20)13(24)10(16)2-3-15/h8,10H,2-7,15-16H2,1H3,(H2,17,18,19,22,23)/t10-/m0/s1
InChIKeyIPPMGSCIXMVTKR-JTQLQIEISA-N
MW337.38 g/mol
LogP-1.95
Rot. Bonds5

About N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide

N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide (PubChem CID 118591460) has the molecular formula C14H23N7O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide
PubChem CID118591460
Molecular FormulaC14H23N7O3
Molecular Weight337.38 g/mol
Exact Mass337.19
IUPAC NameN-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(N2CCN(C(=O)[C@@H](N)CCN)CC2)c(=O)[nH]1
InChIInChI=1S/C14H23N7O3/c1-9(22)18-14-17-8-11(12(23)19-14)20-4-6-21(7-5-20)13(24)10(16)2-3-15/h8,10H,2-7,15-16H2,1H3,(H2,17,18,19,22,23)/t10-/m0/s1
InChIKeyIPPMGSCIXMVTKR-JTQLQIEISA-N
XLogP-1.95
TPSA150.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide (CID 118591460) is N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide is CC(=O)Nc1ncc(N2CCN(C(=O)[C@@H](N)CCN)CC2)c(=O)[nH]1.
What is the InChIKey of N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide?
The InChIKey is IPPMGSCIXMVTKR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N7O3/c1-9(22)18-14-17-8-11(12(23)19-14)20-4-6-21(7-5-20)13(24)10(16)2-3-15/h8,10H,2-7,15-16H2,1H3,(H2,17,18,19,22,23)/t10-/m0/s1.
What are the key properties of N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide?
N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide has a molecular weight of 337.38 g/mol, XLogP of -1.95, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 118591460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).