carbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine

C24H27N5O2 — CID 123214909

IUPACcarbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine
SMILESCc1ccc(-c2cnc(Nc3cncc(CCN4CCCCC4)c3)nc2)cc1.O=C=O
InChIInChI=1S/C23H27N5.CO2/c1-18-5-7-20(8-6-18)21-15-25-23(26-16-21)27-22-13-19(14-24-17-22)9-12-28-10-3-2-4-11-28;2-1-3/h5-8,13-17H,2-4,9-12H2,1H3,(H,25,26,27);
InChIKeyKBSZCXWDDFPAIC-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.04
Rot. Bonds6

About carbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine

carbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine (PubChem CID 123214909) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is carbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Namecarbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine
PubChem CID123214909
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Namecarbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine
SMILESCc1ccc(-c2cnc(Nc3cncc(CCN4CCCCC4)c3)nc2)cc1.O=C=O
InChIInChI=1S/C23H27N5.CO2/c1-18-5-7-20(8-6-18)21-15-25-23(26-16-21)27-22-13-19(14-24-17-22)9-12-28-10-3-2-4-11-28;2-1-3/h5-8,13-17H,2-4,9-12H2,1H3,(H,25,26,27);
InChIKeyKBSZCXWDDFPAIC-UHFFFAOYSA-N
XLogP4.04
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of carbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine (CID 123214909) is carbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for carbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for carbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine is Cc1ccc(-c2cnc(Nc3cncc(CCN4CCCCC4)c3)nc2)cc1.O=C=O.
What is the InChIKey of carbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is KBSZCXWDDFPAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5.CO2/c1-18-5-7-20(8-6-18)21-15-25-23(26-16-21)27-22-13-19(14-24-17-22)9-12-28-10-3-2-4-11-28;2-1-3/h5-8,13-17H,2-4,9-12H2,1H3,(H,25,26,27);.
What are the key properties of carbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine?
carbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 417.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;5-(4-methylphenyl)-N-[5-(2-piperidin-1-ylethyl)-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 123214909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).