2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine

C15H20N4 — CID 112882002

IUPAC2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-12(2)18-14-9-11-17-15(19-14)16-10-8-13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyJDSMSXPJXPOJKG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.95
Rot. Bonds6

About 2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112882002) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112882002
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-12(2)18-14-9-11-17-15(19-14)16-10-8-13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyJDSMSXPJXPOJKG-UHFFFAOYSA-N
XLogP2.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882168
2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112894129
3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938729
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80830735
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509
2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112881992
4-N-butan-2-yl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112883512
2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112894149

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 112882002) is 2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1ccnc(NCCc2ccccc2)n1.
What is the InChIKey of 2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is JDSMSXPJXPOJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12(2)18-14-9-11-17-15(19-14)16-10-8-13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112882002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).