2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine

C14H18N4O — CID 80814813

IUPAC2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCCOc2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-11-10-17-14(15-2)18-13(11)16-8-9-19-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyZCKKOCMPPUZMRB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.32
Rot. Bonds6

About 2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine

2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine (PubChem CID 80814813) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine
PubChem CID80814813
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCCOc2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-11-10-17-14(15-2)18-13(11)16-8-9-19-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyZCKKOCMPPUZMRB-UHFFFAOYSA-N
XLogP2.32
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.32
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

5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117093089
5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117087930
5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 117085027
5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80791778
4-N-decyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80854389
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676
2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
CID 80827502
6-hydrazinyl-2,5-dimethyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 80900531
4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine
CID 146184524
N-methyl-3-phenoxypropan-1-amine
CID 22067856
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114187027

Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine (CID 80814813) is 2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine is CNc1ncc(C)c(NCCOc2ccccc2)n1.
What is the InChIKey of 2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is ZCKKOCMPPUZMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-10-17-14(15-2)18-13(11)16-8-9-19-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine?
2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80814813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).