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

C19H25ClN6O — CID 172892243

IUPACN-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H25ClN6O/c1-24(18-4-7-21-19(23-18)26-10-12-27-13-11-26)16-5-8-25(9-6-16)17-3-2-15(20)14-22-17/h2-4,7,14,16H,5-6,8-13H2,1H3
InChIKeyDDCNUVHWJPDIPS-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.47
Rot. Bonds4

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

N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172892243) has the molecular formula C19H25ClN6O and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172892243
Molecular FormulaC19H25ClN6O
Molecular Weight388.90 g/mol
Exact Mass388.18
IUPAC NameN-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H25ClN6O/c1-24(18-4-7-21-19(23-18)26-10-12-27-13-11-26)16-5-8-25(9-6-16)17-3-2-15(20)14-22-17/h2-4,7,14,16H,5-6,8-13H2,1H3
InChIKeyDDCNUVHWJPDIPS-UHFFFAOYSA-N
XLogP2.47
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892228
N-methyl-2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901831
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172891609
N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648749
N-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902893
5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172902390
N-[1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 175650362
N-methyl-N-[1-(6-methyl-2-pyridinyl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175649208
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900137
5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163345660
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902400
3-fluoro-2-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
CID 175650017

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 172892243) is N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is CN(c1ccnc(N2CCOCC2)n1)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is DDCNUVHWJPDIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O/c1-24(18-4-7-21-19(23-18)26-10-12-27-13-11-26)16-5-8-25(9-6-16)17-3-2-15(20)14-22-17/h2-4,7,14,16H,5-6,8-13H2,1H3.
What are the key properties of N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 388.90 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 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]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172892243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).