6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine

C16H21N3O — CID 133298482

IUPAC6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine
SMILESCc1cc(NCC(C)COCc2ccccc2)ncn1
InChIInChI=1S/C16H21N3O/c1-13(9-17-16-8-14(2)18-12-19-16)10-20-11-15-6-4-3-5-7-15/h3-8,12-13H,9-11H2,1-2H3,(H,17,18,19)
InChIKeySVSWUVINGPNCDF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.05
Rot. Bonds7

About 6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine

6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine (PubChem CID 133298482) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine
PubChem CID133298482
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine
SMILESCc1cc(NCC(C)COCc2ccccc2)ncn1
InChIInChI=1S/C16H21N3O/c1-13(9-17-16-8-14(2)18-12-19-16)10-20-11-15-6-4-3-5-7-15/h3-8,12-13H,9-11H2,1-2H3,(H,17,18,19)
InChIKeySVSWUVINGPNCDF-UHFFFAOYSA-N
XLogP3.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 65037496
6-methyl-N-[(2-phenylmethoxyphenyl)methyl]pyrimidin-4-amine
CID 133297453
1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol
CID 61226295
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanal
CID 25112676
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
6-methoxy-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 66325791
N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine
CID 119111767
6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
CID 102609023
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine (CID 133298482) is 6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine is Cc1cc(NCC(C)COCc2ccccc2)ncn1.
What is the InChIKey of 6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine?
The InChIKey is SVSWUVINGPNCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13(9-17-16-8-14(2)18-12-19-16)10-20-11-15-6-4-3-5-7-15/h3-8,12-13H,9-11H2,1-2H3,(H,17,18,19).
What are the key properties of 6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine?
6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 133298482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).