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

C11H11N5O2 — CID 135987605

IUPAC2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESNc1nc(NCc2ccccc2)c(N=O)c(=O)[nH]1
InChIInChI=1S/C11H11N5O2/c12-11-14-9(8(16-18)10(17)15-11)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,12,13,14,15,17)
InChIKeyBDWCFJSCRXDHCK-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.36
Rot. Bonds4

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

2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135987605) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one
PubChem CID135987605
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESNc1nc(NCc2ccccc2)c(N=O)c(=O)[nH]1
InChIInChI=1S/C11H11N5O2/c12-11-14-9(8(16-18)10(17)15-11)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,12,13,14,15,17)
InChIKeyBDWCFJSCRXDHCK-UHFFFAOYSA-N
XLogP1.36
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
6-Amino-5-(benzylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 264818
Mls000766271
CID 135431331
5-nitroso-6-(3-phenylpropylamino)-1H-pyrimidine-2,4-dione
CID 146025763
N-benzyl-N-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)acetamide
CID 135424204
2-Amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135409388
2-amino-9-benzyl-7-prop-2-enyl-1H-purine-6,8-dione
CID 135410334
2-amino-6-(benzylamino)-1H-pyrimidin-4-one
CID 135408603
3-methyl-5-nitroso-6-[(1-phenylethyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 3118973
6-amino-1-benzyl-3-methyl-5-nitroso-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 24747160
2-amino-5-nitroso-4-(7-phenylheptylamino)-1H-pyrimidin-6-one
CID 135987596
2-amino-5-nitroso-4-(4-phenylbutylamino)-1H-pyrimidin-6-one
CID 135987597

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one (CID 135987605) is 2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one is Nc1nc(NCc2ccccc2)c(N=O)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is BDWCFJSCRXDHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c12-11-14-9(8(16-18)10(17)15-11)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,12,13,14,15,17).
What are the key properties of 2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one?
2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 245.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(benzylamino)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135987605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).