2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine

C19H25N3O — CID 133332206

IUPAC2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine
SMILESCc1ccc(C2OCCCC2CNc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C19H25N3O/c1-13-6-8-16(9-7-13)19-17(5-4-10-23-19)12-20-18-11-14(2)21-15(3)22-18/h6-9,11,17,19H,4-5,10,12H2,1-3H3,(H,20,21,22)
InChIKeyXLJCCRNAAQDUDI-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.98
Rot. Bonds4

About 2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine

2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine (PubChem CID 133332206) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine
PubChem CID133332206
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine
SMILESCc1ccc(C2OCCCC2CNc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C19H25N3O/c1-13-6-8-16(9-7-13)19-17(5-4-10-23-19)12-20-18-11-14(2)21-15(3)22-18/h6-9,11,17,19H,4-5,10,12H2,1-3H3,(H,20,21,22)
InChIKeyXLJCCRNAAQDUDI-UHFFFAOYSA-N
XLogP3.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine
CID 133332203
5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133332136
1,2-dimethyl-3-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111478585
[6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133332166
1,3-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-4-nitropyrazol-5-amine
CID 133332154
2-methyl-1-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111478573
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
3-[(dimethylsulfamoylamino)methyl]-2-(4-methylphenyl)oxane
CID 71992982
2-methyl-3-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-oxopropanoic acid
CID 122065691
2-methyl-1-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-(2-pyrazol-1-ylethyl)guanidine
CID 111620404
2-(difluoromethylsulfonyl)-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]aniline
CID 133332193
(2S,3R)-2-(4-methylphenyl)oxan-3-amine
CID 95757199

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine (CID 133332206) is 2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine is Cc1ccc(C2OCCCC2CNc2cc(C)nc(C)n2)cc1.
What is the InChIKey of 2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is XLJCCRNAAQDUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13-6-8-16(9-7-13)19-17(5-4-10-23-19)12-20-18-11-14(2)21-15(3)22-18/h6-9,11,17,19H,4-5,10,12H2,1-3H3,(H,20,21,22).
What are the key properties of 2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine?
2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133332206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).