N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

C18H23ClN6O — CID 172891609

IUPACN-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESClc1ccc(N2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)nc1
InChIInChI=1S/C18H23ClN6O/c19-14-1-2-17(21-13-14)24-7-4-15(5-8-24)22-16-3-6-20-18(23-16)25-9-11-26-12-10-25/h1-3,6,13,15H,4-5,7-12H2,(H,20,22,23)
InChIKeyYPMDTBCTAHKIJL-UHFFFAOYSA-N
MW374.88 g/mol
LogP2.44
Rot. Bonds4

About N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172891609) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172891609
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC NameN-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESClc1ccc(N2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)nc1
InChIInChI=1S/C18H23ClN6O/c19-14-1-2-17(21-13-14)24-7-4-15(5-8-24)22-16-3-6-20-18(23-16)25-9-11-26-12-10-25/h1-3,6,13,15H,4-5,7-12H2,(H,20,22,23)
InChIKeyYPMDTBCTAHKIJL-UHFFFAOYSA-N
XLogP2.44
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901754
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900055
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892243
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078978
N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892228
2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
CID 172902099
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901667
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901713
N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900091
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648592
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 172903460
2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172901289

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 172891609) is N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is Clc1ccc(N2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)nc1.
What is the InChIKey of N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is YPMDTBCTAHKIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O/c19-14-1-2-17(21-13-14)24-7-4-15(5-8-24)22-16-3-6-20-18(23-16)25-9-11-26-12-10-25/h1-3,6,13,15H,4-5,7-12H2,(H,20,22,23).
What are the key properties of N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 374.88 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172891609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).