4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

C23H27N5O3 — CID 18545643

IUPAC4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3ccc(N4CCCCC4)nc3)n2)cc(OC)c1OC
InChIInChI=1S/C23H27N5O3/c1-29-19-13-17(14-20(30-2)22(19)31-3)26-23-24-10-9-18(27-23)16-7-8-21(25-15-16)28-11-5-4-6-12-28/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,26,27)
InChIKeyWAHLWLPSRKKGGP-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.30
Rot. Bonds7

About 4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (PubChem CID 18545643) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
PubChem CID18545643
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3ccc(N4CCCCC4)nc3)n2)cc(OC)c1OC
InChIInChI=1S/C23H27N5O3/c1-29-19-13-17(14-20(30-2)22(19)31-3)26-23-24-10-9-18(27-23)16-7-8-21(25-15-16)28-11-5-4-6-12-28/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,26,27)
InChIKeyWAHLWLPSRKKGGP-UHFFFAOYSA-N
XLogP4.30
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (CID 18545643) is 4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is COc1cc(Nc2nccc(-c3ccc(N4CCCCC4)nc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is WAHLWLPSRKKGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-29-19-13-17(14-20(30-2)22(19)31-3)26-23-24-10-9-18(27-23)16-7-8-21(25-15-16)28-11-5-4-6-12-28/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,26,27).
What are the key properties of 4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 421.50 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-piperidin-1-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 18545643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).