2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

C19H26N4O — CID 112885330

IUPAC2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC1CCN(c2nccc(Nc3ccc(OC(C)C)cc3)n2)CC1
InChIInChI=1S/C19H26N4O/c1-14(2)24-17-6-4-16(5-7-17)21-18-8-11-20-19(22-18)23-12-9-15(3)10-13-23/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,20,21,22)
InChIKeyCMUSEODKFICVSU-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.24
Rot. Bonds5

About 2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 112885330) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID112885330
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC1CCN(c2nccc(Nc3ccc(OC(C)C)cc3)n2)CC1
InChIInChI=1S/C19H26N4O/c1-14(2)24-17-6-4-16(5-7-17)21-18-8-11-20-19(22-18)23-12-9-15(3)10-13-23/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,20,21,22)
InChIKeyCMUSEODKFICVSU-UHFFFAOYSA-N
XLogP4.24
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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U 101958
CID 5615
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 112885330) is 2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is CC1CCN(c2nccc(Nc3ccc(OC(C)C)cc3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is CMUSEODKFICVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)24-17-6-4-16(5-7-17)21-18-8-11-20-19(22-18)23-12-9-15(3)10-13-23/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112885330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).