2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

C19H31N5O2 — CID 172899503

IUPAC2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(CC3CCCCO3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H31N5O2/c1-2-12-26-17(3-1)15-23-8-5-16(6-9-23)21-18-4-7-20-19(22-18)24-10-13-25-14-11-24/h4,7,16-17H,1-3,5-6,8-15H2,(H,20,21,22)
InChIKeyWWMFGGJNALAMDJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.76
Rot. Bonds5

About 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 172899503) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID172899503
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(CC3CCCCO3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H31N5O2/c1-2-12-26-17(3-1)15-23-8-5-16(6-9-23)21-18-4-7-20-19(22-18)24-10-13-25-14-11-24/h4,7,16-17H,1-3,5-6,8-15H2,(H,20,21,22)
InChIKeyWWMFGGJNALAMDJ-UHFFFAOYSA-N
XLogP1.76
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901310
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901713
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901667
4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 171327906
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901754
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901047
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648844
N-cycloheptyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112884682
N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884053
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900055
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078978
4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 51614940

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (CID 172899503) is 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is c1cc(NC2CCN(CC3CCCCO3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is WWMFGGJNALAMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-2-12-26-17(3-1)15-23-8-5-16(6-9-23)21-18-4-7-20-19(22-18)24-10-13-25-14-11-24/h4,7,16-17H,1-3,5-6,8-15H2,(H,20,21,22).
What are the key properties of 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 361.49 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 172899503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).