2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine

C15H19N3 — CID 82293129

IUPAC2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine
SMILESCCC(C)c1ccc(Cc2ncc(N)cn2)cc1
InChIInChI=1S/C15H19N3/c1-3-11(2)13-6-4-12(5-7-13)8-15-17-9-14(16)10-18-15/h4-7,9-11H,3,8,16H2,1-2H3
InChIKeyYUTCZGYQODMREO-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.16
Rot. Bonds4

About 2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine

2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine (PubChem CID 82293129) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine
PubChem CID82293129
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine
SMILESCCC(C)c1ccc(Cc2ncc(N)cn2)cc1
InChIInChI=1S/C15H19N3/c1-3-11(2)13-6-4-12(5-7-13)8-15-17-9-14(16)10-18-15/h4-7,9-11H,3,8,16H2,1-2H3
InChIKeyYUTCZGYQODMREO-UHFFFAOYSA-N
XLogP3.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-butan-2-ylphenyl)methyl]phenol
CID 170030483
1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine
CID 82126382
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
CID 116939281
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
1-butan-2-yl-4-(3-chloropropyl)benzene
CID 116926644
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
1-butan-2-yl-4-ethylbenzene;carbanide;zirconium(3+)
CID 58665646
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine
CID 82168504
1-(4-butan-2-ylphenyl)pentan-3-amine
CID 112513140
[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine
CID 107666701

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine?
The IUPAC name of 2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine (CID 82293129) is 2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine?
The canonical SMILES for 2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine is CCC(C)c1ccc(Cc2ncc(N)cn2)cc1.
What is the InChIKey of 2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine?
The InChIKey is YUTCZGYQODMREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-11(2)13-6-4-12(5-7-13)8-15-17-9-14(16)10-18-15/h4-7,9-11H,3,8,16H2,1-2H3.
What are the key properties of 2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine?
2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine has a molecular weight of 241.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 82293129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).