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

C8H13N5O2 — CID 135500494

IUPACN-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide
SMILESCCCNc1nc(N)[nH]c(=O)c1NC=O
InChIInChI=1S/C8H13N5O2/c1-2-3-10-6-5(11-4-14)7(15)13-8(9)12-6/h4H,2-3H2,1H3,(H,11,14)(H4,9,10,12,13,15)
InChIKeyLUSZXIKPQFTZFA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.26
Rot. Bonds5

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

N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide (PubChem CID 135500494) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide
PubChem CID135500494
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC NameN-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide
SMILESCCCNc1nc(N)[nH]c(=O)c1NC=O
InChIInChI=1S/C8H13N5O2/c1-2-3-10-6-5(11-4-14)7(15)13-8(9)12-6/h4H,2-3H2,1H3,(H,11,14)(H4,9,10,12,13,15)
InChIKeyLUSZXIKPQFTZFA-UHFFFAOYSA-N
XLogP-0.26
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.26
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-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide?
The IUPAC name of N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide (CID 135500494) is N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide?
The canonical SMILES for N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide is CCCNc1nc(N)[nH]c(=O)c1NC=O.
What is the InChIKey of N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide?
The InChIKey is LUSZXIKPQFTZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-2-3-10-6-5(11-4-14)7(15)13-8(9)12-6/h4H,2-3H2,1H3,(H,11,14)(H4,9,10,12,13,15).
What are the key properties of N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide?
N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide has a molecular weight of 211.22 g/mol, XLogP of -0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide is sourced from PubChem (CID 135500494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).