N-(3-phenylbutyl)pyrimidin-4-amine

C14H17N3 — CID 55152180

IUPACN-(3-phenylbutyl)pyrimidin-4-amine
SMILESCC(CCNc1ccncn1)c1ccccc1
InChIInChI=1S/C14H17N3/c1-12(13-5-3-2-4-6-13)7-10-16-14-8-9-15-11-17-14/h2-6,8-9,11-12H,7,10H2,1H3,(H,15,16,17)
InChIKeyZMHPRKQIGDKYAN-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.08
Rot. Bonds5

About N-(3-phenylbutyl)pyrimidin-4-amine

N-(3-phenylbutyl)pyrimidin-4-amine (PubChem CID 55152180) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(3-phenylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-phenylbutyl)pyrimidin-4-amine
PubChem CID55152180
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-(3-phenylbutyl)pyrimidin-4-amine
SMILESCC(CCNc1ccncn1)c1ccccc1
InChIInChI=1S/C14H17N3/c1-12(13-5-3-2-4-6-13)7-10-16-14-8-9-15-11-17-14/h2-6,8-9,11-12H,7,10H2,1H3,(H,15,16,17)
InChIKeyZMHPRKQIGDKYAN-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine
CID 55152743
5-chloro-N-(3-phenylbutyl)pyridin-2-amine
CID 62986989
N-(4-chloropentyl)pyrimidin-4-amine
CID 106124684
4-methyl-N-(3-phenylbutyl)pyridin-3-amine
CID 55201696
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
N-(3-phenylbutyl)-1,3-thiazol-2-amine
CID 62402809
N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102914055
3-nitro-N-(3-phenylbutyl)pyridin-2-amine
CID 62404040
N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine
CID 63456333
2-methyl-4-(3-phenylbutylamino)-1H-pyrimidin-6-one
CID 136956626
2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine
CID 66107458
ethane;N-ethylpyrimidin-4-amine
CID 167491074

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)pyrimidin-4-amine?
The IUPAC name of N-(3-phenylbutyl)pyrimidin-4-amine (CID 55152180) is N-(3-phenylbutyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-phenylbutyl)pyrimidin-4-amine?
The canonical SMILES for N-(3-phenylbutyl)pyrimidin-4-amine is CC(CCNc1ccncn1)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)pyrimidin-4-amine?
The InChIKey is ZMHPRKQIGDKYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-12(13-5-3-2-4-6-13)7-10-16-14-8-9-15-11-17-14/h2-6,8-9,11-12H,7,10H2,1H3,(H,15,16,17).
What are the key properties of N-(3-phenylbutyl)pyrimidin-4-amine?
N-(3-phenylbutyl)pyrimidin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 55152180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).