N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine

C20H23N7 — CID 56872592

IUPACN-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(N3CCC(Nc4ncccn4)CC3)n2)c(C)n1
InChIInChI=1S/C20H23N7/c1-14-4-5-17(15(2)24-14)18-6-11-23-20(26-18)27-12-7-16(8-13-27)25-19-21-9-3-10-22-19/h3-6,9-11,16H,7-8,12-13H2,1-2H3,(H,21,22,25)
InChIKeyOHYWJGZVUXKYOP-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.03
Rot. Bonds4

About N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine

N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 56872592) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID56872592
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC NameN-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(N3CCC(Nc4ncccn4)CC3)n2)c(C)n1
InChIInChI=1S/C20H23N7/c1-14-4-5-17(15(2)24-14)18-6-11-23-20(26-18)27-12-7-16(8-13-27)25-19-21-9-3-10-22-19/h3-6,9-11,16H,7-8,12-13H2,1-2H3,(H,21,22,25)
InChIKeyOHYWJGZVUXKYOP-UHFFFAOYSA-N
XLogP3.03
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine (CID 56872592) is N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine is Cc1ccc(-c2ccnc(N3CCC(Nc4ncccn4)CC3)n2)c(C)n1.
What is the InChIKey of N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is OHYWJGZVUXKYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-14-4-5-17(15(2)24-14)18-6-11-23-20(26-18)27-12-7-16(8-13-27)25-19-21-9-3-10-22-19/h3-6,9-11,16H,7-8,12-13H2,1-2H3,(H,21,22,25).
What are the key properties of N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine?
N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 361.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 56872592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).