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

C9H18N6O — CID 135524426

IUPAC2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
SMILESCCC[C@H](N)CNc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C9H18N6O/c1-2-3-5(10)4-13-7-6(11)8(16)15-9(12)14-7/h5H,2-4,10-11H2,1H3,(H4,12,13,14,15,16)/t5-/m0/s1
InChIKeyFEYBSUJNNRAMQK-YFKPBYRVSA-N
MW226.28 g/mol
LogP-0.53
Rot. Bonds5

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

2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one (PubChem CID 135524426) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
PubChem CID135524426
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
SMILESCCC[C@H](N)CNc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C9H18N6O/c1-2-3-5(10)4-13-7-6(11)8(16)15-9(12)14-7/h5H,2-4,10-11H2,1H3,(H4,12,13,14,15,16)/t5-/m0/s1
InChIKeyFEYBSUJNNRAMQK-YFKPBYRVSA-N
XLogP-0.53
TPSA135.84 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one (CID 135524426) is 2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one is CCC[C@H](N)CNc1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one?
The InChIKey is FEYBSUJNNRAMQK-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H18N6O/c1-2-3-5(10)4-13-7-6(11)8(16)15-9(12)14-7/h5H,2-4,10-11H2,1H3,(H4,12,13,14,15,16)/t5-/m0/s1.
What are the key properties of 2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one?
2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of -0.53, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135524426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).