2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine

C14H18N4O — CID 80827502

IUPAC2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCCCOc2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-15-14-17-10-8-13(18-14)16-9-5-11-19-12-6-3-2-4-7-12/h2-4,6-8,10H,5,9,11H2,1H3,(H2,15,16,17,18)
InChIKeyJDXROZMHRVMRNX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.40
Rot. Bonds7

About 2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine (PubChem CID 80827502) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
PubChem CID80827502
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCCCOc2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-15-14-17-10-8-13(18-14)16-9-5-11-19-12-6-3-2-4-7-12/h2-4,6-8,10H,5,9,11H2,1H3,(H2,15,16,17,18)
InChIKeyJDXROZMHRVMRNX-UHFFFAOYSA-N
XLogP2.40
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine
CID 117083720
4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117079463
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
4-N-(3-methoxypropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112886137
2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523201
N-methyl-3-phenoxypropan-1-amine
CID 22067856
N-(3-phenoxypropyl)quinolin-2-amine
CID 60678079
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
2-N-(3-methoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886107
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886110
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine
CID 80814813

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine (CID 80827502) is 2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine is CNc1nccc(NCCCOc2ccccc2)n1.
What is the InChIKey of 2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine?
The InChIKey is JDXROZMHRVMRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-14-17-10-8-13(18-14)16-9-5-11-19-12-6-3-2-4-7-12/h2-4,6-8,10H,5,9,11H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80827502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).