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

C9H15N5O2 — CID 135403624

IUPACN-[2-amino-4-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
SMILESCC(C)CNc1nc(N)[nH]c(=O)c1NC=O
InChIInChI=1S/C9H15N5O2/c1-5(2)3-11-7-6(12-4-15)8(16)14-9(10)13-7/h4-5H,3H2,1-2H3,(H,12,15)(H4,10,11,13,14,16)
InChIKeyUZLLGXDHJYOFTP-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.01
Rot. Bonds5

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

N-[2-amino-4-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide (PubChem CID 135403624) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[2-amino-4-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[2-amino-4-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
PubChem CID135403624
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-[2-amino-4-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
SMILESCC(C)CNc1nc(N)[nH]c(=O)c1NC=O
InChIInChI=1S/C9H15N5O2/c1-5(2)3-11-7-6(12-4-15)8(16)14-9(10)13-7/h4-5H,3H2,1-2H3,(H,12,15)(H4,10,11,13,14,16)
InChIKeyUZLLGXDHJYOFTP-UHFFFAOYSA-N
XLogP-0.01
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.01
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-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The IUPAC name of N-[2-amino-4-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide (CID 135403624) is N-[2-amino-4-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[2-amino-4-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The canonical SMILES for N-[2-amino-4-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide is CC(C)CNc1nc(N)[nH]c(=O)c1NC=O.
What is the InChIKey of N-[2-amino-4-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The InChIKey is UZLLGXDHJYOFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-5(2)3-11-7-6(12-4-15)8(16)14-9(10)13-7/h4-5H,3H2,1-2H3,(H,12,15)(H4,10,11,13,14,16).
What are the key properties of N-[2-amino-4-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
N-[2-amino-4-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide has a molecular weight of 225.25 g/mol, XLogP of -0.01, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(2-methylpropylamino)-6-oxo-1H-pyrimidin-5-yl]formamide is sourced from PubChem (CID 135403624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).