5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one

C10H17N5O — CID 136792793

IUPAC5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one
SMILESNc1c(N[C@@H]2CCCC[C@H]2N)nc[nH]c1=O
InChIInChI=1S/C10H17N5O/c11-6-3-1-2-4-7(6)15-9-8(12)10(16)14-5-13-9/h5-7H,1-4,11-12H2,(H2,13,14,15,16)/t6-,7-/m1/s1
InChIKeyZYODBDAUWYFKJV-RNFRBKRXSA-N
MW223.28 g/mol
LogP0.03
Rot. Bonds2

About 5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one

5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 136792793) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID136792793
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one
SMILESNc1c(N[C@@H]2CCCC[C@H]2N)nc[nH]c1=O
InChIInChI=1S/C10H17N5O/c11-6-3-1-2-4-7(6)15-9-8(12)10(16)14-5-13-9/h5-7H,1-4,11-12H2,(H2,13,14,15,16)/t6-,7-/m1/s1
InChIKeyZYODBDAUWYFKJV-RNFRBKRXSA-N
XLogP0.03
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137016592
5-amino-2-(cyclohexylamino)-1H-pyrimidin-6-one
CID 20276668
2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
CID 135584213
4-(methylamino)-5-(octylamino)-1H-pyrimidin-6-one
CID 136348154
2,5-diamino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136418258
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
2,5-diamino-4-[[(1S)-1-aminopentyl]amino]-1H-pyrimidin-6-one
CID 140365223
(6R,7S)-2-amino-6,7-diethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 141827576
2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one
CID 135449031
N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
CID 135527911
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one (CID 136792793) is 5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one is Nc1c(N[C@@H]2CCCC[C@H]2N)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is ZYODBDAUWYFKJV-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H17N5O/c11-6-3-1-2-4-7(6)15-9-8(12)10(16)14-5-13-9/h5-7H,1-4,11-12H2,(H2,13,14,15,16)/t6-,7-/m1/s1.
What are the key properties of 5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one?
5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.03, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[(1R,2R)-2-aminocyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136792793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).