N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine

C27H39N5O2 — CID 71108050

IUPACN-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine
SMILESCC1CCC(Nc2ncc(-c3ccc(N4CCOCC4)cc3)c(OCC3CCNCC3)n2)CC1
InChIInChI=1S/C27H39N5O2/c1-20-2-6-23(7-3-20)30-27-29-18-25(26(31-27)34-19-21-10-12-28-13-11-21)22-4-8-24(9-5-22)32-14-16-33-17-15-32/h4-5,8-9,18,20-21,23,28H,2-3,6-7,10-17,19H2,1H3,(H,29,30,31)
InChIKeyXNRGYBWRZQUBOY-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.35
Rot. Bonds7

About N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine

N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine (PubChem CID 71108050) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine
PubChem CID71108050
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC NameN-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine
SMILESCC1CCC(Nc2ncc(-c3ccc(N4CCOCC4)cc3)c(OCC3CCNCC3)n2)CC1
InChIInChI=1S/C27H39N5O2/c1-20-2-6-23(7-3-20)30-27-29-18-25(26(31-27)34-19-21-10-12-28-13-11-21)22-4-8-24(9-5-22)32-14-16-33-17-15-32/h4-5,8-9,18,20-21,23,28H,2-3,6-7,10-17,19H2,1H3,(H,29,30,31)
InChIKeyXNRGYBWRZQUBOY-UHFFFAOYSA-N
XLogP4.35
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine?
The IUPAC name of N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine (CID 71108050) is N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine is CC1CCC(Nc2ncc(-c3ccc(N4CCOCC4)cc3)c(OCC3CCNCC3)n2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine?
The InChIKey is XNRGYBWRZQUBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O2/c1-20-2-6-23(7-3-20)30-27-29-18-25(26(31-27)34-19-21-10-12-28-13-11-21)22-4-8-24(9-5-22)32-14-16-33-17-15-32/h4-5,8-9,18,20-21,23,28H,2-3,6-7,10-17,19H2,1H3,(H,29,30,31).
What are the key properties of N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine?
N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine has a molecular weight of 465.64 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine is sourced from PubChem (CID 71108050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).