N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine

C20H27N5O — CID 72860191

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESc1cc(-c2ccnc(NCC3(N4CCOCC4)CCCCC3)n2)ccn1
InChIInChI=1S/C20H27N5O/c1-2-7-20(8-3-1,25-12-14-26-15-13-25)16-23-19-22-11-6-18(24-19)17-4-9-21-10-5-17/h4-6,9-11H,1-3,7-8,12-16H2,(H,22,23,24)
InChIKeyVRZXIXGZOCCWKB-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.99
Rot. Bonds5

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine

N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 72860191) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID72860191
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESc1cc(-c2ccnc(NCC3(N4CCOCC4)CCCCC3)n2)ccn1
InChIInChI=1S/C20H27N5O/c1-2-7-20(8-3-1,25-12-14-26-15-13-25)16-23-19-22-11-6-18(24-19)17-4-9-21-10-5-17/h4-6,9-11H,1-3,7-8,12-16H2,(H,22,23,24)
InChIKeyVRZXIXGZOCCWKB-UHFFFAOYSA-N
XLogP2.99
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Buparlisib
CID 16654980
VPS34 inhibitor 1
CID 67983918
N-Ethyl-N'-(4-(4-((3S)-3-methylmorpholin-4-yl)-7-(pyrimidin-2-yl)-5,6,7,8-tetrahydropyrido(3,4-d)pyrimidin-2-yl)phenyl)urea
CID 59239114
5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
Pyrazine-Pyridine Biheteroaryl 52
CID 5330380
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
SB-210313
CID 9885504

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine (CID 72860191) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine is c1cc(-c2ccnc(NCC3(N4CCOCC4)CCCCC3)n2)ccn1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is VRZXIXGZOCCWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-7-20(8-3-1,25-12-14-26-15-13-25)16-23-19-22-11-6-18(24-19)17-4-9-21-10-5-17/h4-6,9-11H,1-3,7-8,12-16H2,(H,22,23,24).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 353.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 72860191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).