N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide

C11H17N5O2 — CID 135527911

IUPACN-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
SMILESNc1nc(NC2CCCCC2)c(NC=O)c(=O)[nH]1
InChIInChI=1S/C11H17N5O2/c12-11-15-9(8(13-6-17)10(18)16-11)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,17)(H4,12,14,15,16,18)
InChIKeyVLQWTKWPSLJXRT-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.67
Rot. Bonds4

About N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide

N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide (PubChem CID 135527911) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
PubChem CID135527911
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
SMILESNc1nc(NC2CCCCC2)c(NC=O)c(=O)[nH]1
InChIInChI=1S/C11H17N5O2/c12-11-15-9(8(13-6-17)10(18)16-11)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,17)(H4,12,14,15,16,18)
InChIKeyVLQWTKWPSLJXRT-UHFFFAOYSA-N
XLogP0.67
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The IUPAC name of N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide (CID 135527911) is N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The canonical SMILES for N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide is Nc1nc(NC2CCCCC2)c(NC=O)c(=O)[nH]1.
What is the InChIKey of N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The InChIKey is VLQWTKWPSLJXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c12-11-15-9(8(13-6-17)10(18)16-11)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,17)(H4,12,14,15,16,18).
What are the key properties of N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide has a molecular weight of 251.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(cyclohexylamino)-6-oxo-1H-pyrimidin-5-yl]formamide is sourced from PubChem (CID 135527911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).