N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine

C22H31N5O — CID 87011463

IUPACN-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine
SMILESc1cc(CN2CCCCC2)ccc1CNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C22H31N5O/c1-2-8-26(9-3-1)18-20-6-4-19(5-7-20)14-23-15-21-16-24-22(25-17-21)27-10-12-28-13-11-27/h4-7,16-17,23H,1-3,8-15,18H2
InChIKeyFPQRXDFOZWIJGP-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.59
Rot. Bonds7

About N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine

N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine (PubChem CID 87011463) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine
PubChem CID87011463
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine
SMILESc1cc(CN2CCCCC2)ccc1CNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C22H31N5O/c1-2-8-26(9-3-1)18-20-6-4-19(5-7-20)14-23-15-21-16-24-22(25-17-21)27-10-12-28-13-11-27/h4-7,16-17,23H,1-3,8-15,18H2
InChIKeyFPQRXDFOZWIJGP-UHFFFAOYSA-N
XLogP2.59
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425339
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
CID 91641613
4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
CID 159454325
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 47626361
(1S)-1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 95582612
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine
CID 78871470
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809733
1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 83962786
2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111411698

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine (CID 87011463) is N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine is c1cc(CN2CCCCC2)ccc1CNCc1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine?
The InChIKey is FPQRXDFOZWIJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-2-8-26(9-3-1)18-20-6-4-19(5-7-20)14-23-15-21-16-24-22(25-17-21)27-10-12-28-13-11-27/h4-7,16-17,23H,1-3,8-15,18H2.
What are the key properties of N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine?
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine has a molecular weight of 381.52 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 87011463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).