2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one

C9H17N5O — CID 136694596

IUPAC2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one
SMILESCCC[C@H](N)Cc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O/c1-2-3-5(10)4-6-7(11)8(15)14-9(12)13-6/h5H,2-4,10-11H2,1H3,(H3,12,13,14,15)/t5-/m0/s1
InChIKeyRGMIPHRCRRYMAM-YFKPBYRVSA-N
MW211.27 g/mol
LogP-0.40
Rot. Bonds4

About 2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one

2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one (PubChem CID 136694596) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one
PubChem CID136694596
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one
SMILESCCC[C@H](N)Cc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O/c1-2-3-5(10)4-6-7(11)8(15)14-9(12)13-6/h5H,2-4,10-11H2,1H3,(H3,12,13,14,15)/t5-/m0/s1
InChIKeyRGMIPHRCRRYMAM-YFKPBYRVSA-N
XLogP-0.40
TPSA123.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one (CID 136694596) is 2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one is CCC[C@H](N)Cc1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one?
The InChIKey is RGMIPHRCRRYMAM-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H17N5O/c1-2-3-5(10)4-6-7(11)8(15)14-9(12)13-6/h5H,2-4,10-11H2,1H3,(H3,12,13,14,15)/t5-/m0/s1.
What are the key properties of 2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one?
2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one has a molecular weight of 211.27 g/mol, XLogP of -0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136694596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).