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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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).