N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine

C21H24N6 — CID 110111841

IUPACN-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cnccc1CN1CCCC(c2ccnc(Nc3ncccn3)c2)C1
InChIInChI=1S/C21H24N6/c1-16-13-22-9-5-18(16)14-27-11-2-4-19(15-27)17-6-10-23-20(12-17)26-21-24-7-3-8-25-21/h3,5-10,12-13,19H,2,4,11,14-15H2,1H3,(H,23,24,25,26)
InChIKeyVXSHDMJOFGQIMJ-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.70
Rot. Bonds5

About N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine

N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 110111841) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID110111841
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC NameN-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cnccc1CN1CCCC(c2ccnc(Nc3ncccn3)c2)C1
InChIInChI=1S/C21H24N6/c1-16-13-22-9-5-18(16)14-27-11-2-4-19(15-27)17-6-10-23-20(12-17)26-21-24-7-3-8-25-21/h3,5-10,12-13,19H,2,4,11,14-15H2,1H3,(H,23,24,25,26)
InChIKeyVXSHDMJOFGQIMJ-UHFFFAOYSA-N
XLogP3.70
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine (CID 110111841) is N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine is Cc1cnccc1CN1CCCC(c2ccnc(Nc3ncccn3)c2)C1.
What is the InChIKey of N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is VXSHDMJOFGQIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-16-13-22-9-5-18(16)14-27-11-2-4-19(15-27)17-6-10-23-20(12-17)26-21-24-7-3-8-25-21/h3,5-10,12-13,19H,2,4,11,14-15H2,1H3,(H,23,24,25,26).
What are the key properties of N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 360.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 110111841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).