1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine

C14H17N3 — CID 62759378

IUPAC1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
SMILESCCC(NCc1cncnc1)c1ccccc1
InChIInChI=1S/C14H17N3/c1-2-14(13-6-4-3-5-7-13)17-10-12-8-15-11-16-9-12/h3-9,11,14,17H,2,10H2,1H3
InChIKeyOPLZEJZLLVDSSZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.72
Rot. Bonds5

About 1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine

1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine (PubChem CID 62759378) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
PubChem CID62759378
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
SMILESCCC(NCc1cncnc1)c1ccccc1
InChIInChI=1S/C14H17N3/c1-2-14(13-6-4-3-5-7-13)17-10-12-8-15-11-16-9-12/h3-9,11,14,17H,2,10H2,1H3
InChIKeyOPLZEJZLLVDSSZ-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 62758422
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CID 78950279
N-[(4-cyclopropylphenyl)methyl]-1-phenylpropan-1-amine
CID 79979602
2-[(1-phenylpropylamino)methyl]phenol
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2-[(1-phenylpropylamino)methyl]aniline
CID 66418456
N-[(5-ethylthiophen-2-yl)methyl]-1-phenylpropan-1-amine
CID 62305737
N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54807226
N-[4-[[[(1S)-1-phenylpropyl]amino]methyl]phenyl]ethanesulfonamide
CID 97212917
1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
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1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
CID 17155648

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine?
The IUPAC name of 1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine (CID 62759378) is 1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine?
The canonical SMILES for 1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine is CCC(NCc1cncnc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine?
The InChIKey is OPLZEJZLLVDSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-14(13-6-4-3-5-7-13)17-10-12-8-15-11-16-9-12/h3-9,11,14,17H,2,10H2,1H3.
What are the key properties of 1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine?
1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 62759378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).