1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine

C18H25N3 — CID 63082913

IUPAC1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine
SMILESCCC(CC)(c1ccccc1)c1ncc(CC(C)N)cn1
InChIInChI=1S/C18H25N3/c1-4-18(5-2,16-9-7-6-8-10-16)17-20-12-15(13-21-17)11-14(3)19/h6-10,12-14H,4-5,11,19H2,1-3H3
InChIKeyJWZFTHMNRXDYDD-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.47
Rot. Bonds6

About 1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine

1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine (PubChem CID 63082913) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine
PubChem CID63082913
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine
SMILESCCC(CC)(c1ccccc1)c1ncc(CC(C)N)cn1
InChIInChI=1S/C18H25N3/c1-4-18(5-2,16-9-7-6-8-10-16)17-20-12-15(13-21-17)11-14(3)19/h6-10,12-14H,4-5,11,19H2,1-3H3
InChIKeyJWZFTHMNRXDYDD-UHFFFAOYSA-N
XLogP3.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
4-Pyrimidinamine, N-(1R,2R,4S)-bicyclo(2.2.1)hept-2-yl-2-methyl-5-(4-(trifluoromethyl)phenyl)-
CID 56940925
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
5-((3-(Trifluoromethyl)phenyl)methyl)-2,4-pyrimidinediamine
CID 579834
2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 25070582
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-[4-(2-Carbamimidoylpyrimidin-5-yl)phenyl]pyrimidine-2-carboximidamide
CID 24752324
5-[4-(4-Carbamimidoylphenyl)phenyl]pyrimidine-2-carboximidamide
CID 24752326
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393180
2,4-Diamino-5-benzylpyrimidine
CID 81752
2,5-Diphenylpyrimidine
CID 755305

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine (CID 63082913) is 1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine is CCC(CC)(c1ccccc1)c1ncc(CC(C)N)cn1.
What is the InChIKey of 1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine?
The InChIKey is JWZFTHMNRXDYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-18(5-2,16-9-7-6-8-10-16)17-20-12-15(13-21-17)11-14(3)19/h6-10,12-14H,4-5,11,19H2,1-3H3.
What are the key properties of 1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine?
1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine is sourced from PubChem (CID 63082913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).