6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine

C17H21N3O2 — CID 171705218

IUPAC6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(C3CCC3)ncn2)c(OC)c1
InChIInChI=1S/C17H21N3O2/c1-21-14-7-6-13(16(8-14)22-2)10-18-17-9-15(19-11-20-17)12-4-3-5-12/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,19,20)
InChIKeyTYMUJBYTWSZDIX-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.37
Rot. Bonds6

About 6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine

6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 171705218) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID171705218
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(C3CCC3)ncn2)c(OC)c1
InChIInChI=1S/C17H21N3O2/c1-21-14-7-6-13(16(8-14)22-2)10-18-17-9-15(19-11-20-17)12-4-3-5-12/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,19,20)
InChIKeyTYMUJBYTWSZDIX-UHFFFAOYSA-N
XLogP3.37
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 171997091
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239
4-N-(2,4-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860142
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125178474
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136
N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184758
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine
CID 159861380
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 168934278

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine (CID 171705218) is 6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine is COc1ccc(CNc2cc(C3CCC3)ncn2)c(OC)c1.
What is the InChIKey of 6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is TYMUJBYTWSZDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-21-14-7-6-13(16(8-14)22-2)10-18-17-9-15(19-11-20-17)12-4-3-5-12/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine?
6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 299.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 171705218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).