N-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide

C10H17N5O2 — CID 135408631

IUPACN-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
SMILESCC(C)CCNc1nc(N)[nH]c(=O)c1NC=O
InChIInChI=1S/C10H17N5O2/c1-6(2)3-4-12-8-7(13-5-16)9(17)15-10(11)14-8/h5-6H,3-4H2,1-2H3,(H,13,16)(H4,11,12,14,15,17)
InChIKeyMCHWUBIELCODEV-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.38
Rot. Bonds6

About N-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide

N-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide (PubChem CID 135408631) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
PubChem CID135408631
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
SMILESCC(C)CCNc1nc(N)[nH]c(=O)c1NC=O
InChIInChI=1S/C10H17N5O2/c1-6(2)3-4-12-8-7(13-5-16)9(17)15-10(11)14-8/h5-6H,3-4H2,1-2H3,(H,13,16)(H4,11,12,14,15,17)
InChIKeyMCHWUBIELCODEV-UHFFFAOYSA-N
XLogP0.38
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.38
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-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The IUPAC name of N-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide (CID 135408631) is N-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The canonical SMILES for N-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide is CC(C)CCNc1nc(N)[nH]c(=O)c1NC=O.
What is the InChIKey of N-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The InChIKey is MCHWUBIELCODEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6(2)3-4-12-8-7(13-5-16)9(17)15-10(11)14-8/h5-6H,3-4H2,1-2H3,(H,13,16)(H4,11,12,14,15,17).
What are the key properties of N-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
N-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide has a molecular weight of 239.28 g/mol, XLogP of 0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(3-methylbutylamino)-6-oxo-1H-pyrimidin-5-yl]formamide is sourced from PubChem (CID 135408631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).