2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine

C16H21N3 — CID 62759109

IUPAC2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
SMILESCC(C)(C)C(NCc1ccncn1)c1ccccc1
InChIInChI=1S/C16H21N3/c1-16(2,3)15(13-7-5-4-6-8-13)18-11-14-9-10-17-12-19-14/h4-10,12,15,18H,11H2,1-3H3
InChIKeyHJYNRQRQPUMFOY-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.35
Rot. Bonds4

About 2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine

2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine (PubChem CID 62759109) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
PubChem CID62759109
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
SMILESCC(C)(C)C(NCc1ccncn1)c1ccccc1
InChIInChI=1S/C16H21N3/c1-16(2,3)15(13-7-5-4-6-8-13)18-11-14-9-10-17-12-19-14/h4-10,12,15,18H,11H2,1-3H3
InChIKeyHJYNRQRQPUMFOY-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 114110617
2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid
CID 62749098
3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine
CID 55152743
4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol
CID 106348940
1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 62749247
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine
CID 62760223
(2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol
CID 79253689
N-(pyrimidin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62747287
N-(pyrimidin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62748716
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine (CID 62759109) is 2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine is CC(C)(C)C(NCc1ccncn1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The InChIKey is HJYNRQRQPUMFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2,3)15(13-7-5-4-6-8-13)18-11-14-9-10-17-12-19-14/h4-10,12,15,18H,11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine?
2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 62759109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).