N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

C19H27N7O — CID 175648749

IUPACN-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nccnc1N1CCC(N(C)c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H27N7O/c1-15-18(21-8-7-20-15)25-9-4-16(5-10-25)24(2)17-3-6-22-19(23-17)26-11-13-27-14-12-26/h3,6-8,16H,4-5,9-14H2,1-2H3
InChIKeyJXRDJRKHEXWLEY-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.52
Rot. Bonds4

About N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 175648749) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID175648749
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC NameN-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nccnc1N1CCC(N(C)c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H27N7O/c1-15-18(21-8-7-20-15)25-9-4-16(5-10-25)24(2)17-3-6-22-19(23-17)26-11-13-27-14-12-26/h3,6-8,16H,4-5,9-14H2,1-2H3
InChIKeyJXRDJRKHEXWLEY-UHFFFAOYSA-N
XLogP1.52
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172902937
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892243
5-chloro-6-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172902390
N-methyl-N-[1-(6-methyl-2-pyridinyl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175649208
N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900373
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902400
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900137
N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892228
2-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 172903029
3-fluoro-2-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
CID 175650017
2-fluoro-4-[4-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
CID 172902087
N-[1-(6-cyclopropyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901980

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 175648749) is N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is Cc1nccnc1N1CCC(N(C)c2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is JXRDJRKHEXWLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-15-18(21-8-7-20-15)25-9-4-16(5-10-25)24(2)17-3-6-22-19(23-17)26-11-13-27-14-12-26/h3,6-8,16H,4-5,9-14H2,1-2H3.
What are the key properties of N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 369.47 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 175648749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).