2-methyl-N-phosphanylpyrimidin-4-amine

C5H8N3P — CID 59105384

IUPAC2-methyl-N-phosphanylpyrimidin-4-amine
SMILESCc1nccc(NP)n1
InChIInChI=1S/C5H8N3P/c1-4-6-3-2-5(7-4)8-9/h2-3H,9H2,1H3,(H,6,7,8)
InChIKeyHWTRYCGEVLMTMQ-UHFFFAOYSA-N
MW141.11 g/mol
LogP0.99
Rot. Bonds1

About 2-methyl-N-phosphanylpyrimidin-4-amine

2-methyl-N-phosphanylpyrimidin-4-amine (PubChem CID 59105384) has the molecular formula C5H8N3P and a molecular weight of 141.11 g/mol. Its IUPAC name is 2-methyl-N-phosphanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-phosphanylpyrimidin-4-amine
PubChem CID59105384
Molecular FormulaC5H8N3P
Molecular Weight141.11 g/mol
Exact Mass141.05
IUPAC Name2-methyl-N-phosphanylpyrimidin-4-amine
SMILESCc1nccc(NP)n1
InChIInChI=1S/C5H8N3P/c1-4-6-3-2-5(7-4)8-9/h2-3H,9H2,1H3,(H,6,7,8)
InChIKeyHWTRYCGEVLMTMQ-UHFFFAOYSA-N
XLogP0.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.11
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
N-(2-fluoroethyl)-2-methylpyrimidin-4-amine
CID 130478085
ethane;2-methyl-N-phenylpyrimidin-4-amine
CID 90727503
N-[4-(chloromethyl)phenyl]-2-methylpyrimidin-4-amine
CID 65029159
N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine
CID 118237983
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
CID 103462611
2-methyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine
CID 62785872
N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 91342021
2-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 62769511
N-(2-methylpyrimidin-4-yl)morpholin-4-amine
CID 83025498
N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
CID 130700379

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phosphanylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-phosphanylpyrimidin-4-amine (CID 59105384) is 2-methyl-N-phosphanylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-phosphanylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-phosphanylpyrimidin-4-amine is Cc1nccc(NP)n1.
What is the InChIKey of 2-methyl-N-phosphanylpyrimidin-4-amine?
The InChIKey is HWTRYCGEVLMTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N3P/c1-4-6-3-2-5(7-4)8-9/h2-3H,9H2,1H3,(H,6,7,8).
What are the key properties of 2-methyl-N-phosphanylpyrimidin-4-amine?
2-methyl-N-phosphanylpyrimidin-4-amine has a molecular weight of 141.11 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phosphanylpyrimidin-4-amine is sourced from PubChem (CID 59105384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).