N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine

C21H29N5O — CID 133297513

IUPACN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESc1cc(CNc2cc(N3CCCCC3)ncn2)cc(CN2CCOCC2)c1
InChIInChI=1S/C21H29N5O/c1-2-7-26(8-3-1)21-14-20(23-17-24-21)22-15-18-5-4-6-19(13-18)16-25-9-11-27-12-10-25/h4-6,13-14,17H,1-3,7-12,15-16H2,(H,22,23,24)
InChIKeyMUPRRZFPSQQBQM-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.91
Rot. Bonds6

About N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 133297513) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID133297513
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESc1cc(CNc2cc(N3CCCCC3)ncn2)cc(CN2CCOCC2)c1
InChIInChI=1S/C21H29N5O/c1-2-7-26(8-3-1)21-14-20(23-17-24-21)22-15-18-5-4-6-19(13-18)16-25-9-11-27-12-10-25/h4-6,13-14,17H,1-3,7-12,15-16H2,(H,22,23,24)
InChIKeyMUPRRZFPSQQBQM-UHFFFAOYSA-N
XLogP2.91
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133297512
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297696
6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 122282471
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
CID 91796010
4-benzyl-8-(6-fluoropyrimidin-4-yl)-1,4,8-oxadiazecane
CID 136571637
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
CID 133297097
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585
6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine
CID 122282584

Frequently Asked Questions

What is the IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 133297513) is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine is c1cc(CNc2cc(N3CCCCC3)ncn2)cc(CN2CCOCC2)c1.
What is the InChIKey of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is MUPRRZFPSQQBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-2-7-26(8-3-1)21-14-20(23-17-24-21)22-15-18-5-4-6-19(13-18)16-25-9-11-27-12-10-25/h4-6,13-14,17H,1-3,7-12,15-16H2,(H,22,23,24).
What are the key properties of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 367.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 133297513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).