2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one

C7H11N5O2 — CID 135987607

IUPAC2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1nc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C7H11N5O2/c1-3(2)9-5-4(12-14)6(13)11-7(8)10-5/h3H,1-2H3,(H4,8,9,10,11,13)
InChIKeyBTKYWPMVKMENOZ-UHFFFAOYSA-N
MW197.20 g/mol
LogP0.57
Rot. Bonds3

About 2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one

2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 135987607) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID135987607
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1nc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C7H11N5O2/c1-3(2)9-5-4(12-14)6(13)11-7(8)10-5/h3H,1-2H3,(H4,8,9,10,11,13)
InChIKeyBTKYWPMVKMENOZ-UHFFFAOYSA-N
XLogP0.57
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one (CID 135987607) is 2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one is CC(C)Nc1nc(N)[nH]c(=O)c1N=O.
What is the InChIKey of 2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is BTKYWPMVKMENOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c1-3(2)9-5-4(12-14)6(13)11-7(8)10-5/h3H,1-2H3,(H4,8,9,10,11,13).
What are the key properties of 2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one?
2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 197.20 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135987607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).