4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine

C16H22N4 — CID 112882830

IUPAC4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCCCCNc1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-2-3-11-17-15-10-13-19-16(20-15)18-12-9-14-7-5-4-6-8-14/h4-8,10,13H,2-3,9,11-12H2,1H3,(H2,17,18,19,20)
InChIKeyDFEKVPRKBWZTEV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.34
Rot. Bonds8

About 4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine

4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112882830) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112882830
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCCCCNc1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-2-3-11-17-15-10-13-19-16(20-15)18-12-9-14-7-5-4-6-8-14/h4-8,10,13H,2-3,9,11-12H2,1H3,(H2,17,18,19,20)
InChIKeyDFEKVPRKBWZTEV-UHFFFAOYSA-N
XLogP3.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-benzyl-2-N-butylpyrimidine-2,4-diamine
CID 112883005
4-N-butyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112882836
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
4-[2-[[4-(butylamino)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 112882844
4-[2-[[2-(butylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112883036
2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797099
4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112882829
2-N-butyl-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112883035
4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882168
2-N-(2,6-dimethylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112893984
2-N-butyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883006

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 112882830) is 4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine is CCCCNc1ccnc(NCCc2ccccc2)n1.
What is the InChIKey of 4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is DFEKVPRKBWZTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-3-11-17-15-10-13-19-16(20-15)18-12-9-14-7-5-4-6-8-14/h4-8,10,13H,2-3,9,11-12H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112882830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).