N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine

C18H30N4O — CID 72851576

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCC2(N3CCOCC3)CCCCC2)ncn1
InChIInChI=1S/C18H30N4O/c1-15(2)16-12-17(21-14-20-16)19-13-18(6-4-3-5-7-18)22-8-10-23-11-9-22/h12,14-15H,3-11,13H2,1-2H3,(H,19,20,21)
InChIKeyMOYOILJFULJRAC-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.05
Rot. Bonds5

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine

N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 72851576) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID72851576
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCC2(N3CCOCC3)CCCCC2)ncn1
InChIInChI=1S/C18H30N4O/c1-15(2)16-12-17(21-14-20-16)19-13-18(6-4-3-5-7-18)22-8-10-23-11-9-22/h12,14-15H,3-11,13H2,1-2H3,(H,19,20,21)
InChIKeyMOYOILJFULJRAC-UHFFFAOYSA-N
XLogP3.05
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 72851576) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCC2(N3CCOCC3)CCCCC2)ncn1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is MOYOILJFULJRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15(2)16-12-17(21-14-20-16)19-13-18(6-4-3-5-7-18)22-8-10-23-11-9-22/h12,14-15H,3-11,13H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 318.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 72851576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).