2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine

C16H21N5O — CID 71454917

IUPAC2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESNCc1nc(NCc2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H21N5O/c17-11-15-19-14(18-12-13-4-2-1-3-5-13)10-16(20-15)21-6-8-22-9-7-21/h1-5,10H,6-9,11-12,17H2,(H,18,19,20)
InChIKeyOKBUGAJPNKXBNV-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.38
Rot. Bonds5

About 2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine

2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 71454917) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID71454917
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESNCc1nc(NCc2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H21N5O/c17-11-15-19-14(18-12-13-4-2-1-3-5-13)10-16(20-15)21-6-8-22-9-7-21/h1-5,10H,6-9,11-12,17H2,(H,18,19,20)
InChIKeyOKBUGAJPNKXBNV-UHFFFAOYSA-N
XLogP1.38
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015
N-benzyl-6-morpholin-4-ylpyridin-3-amine
CID 43724757
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1-phenylmethanesulfonamide
CID 50947326
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378
2-ethyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80933335
N-[(2-methoxyphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880506
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
N-[2-(3-chlorophenyl)ethyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880538
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878
2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112935500

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine (CID 71454917) is 2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine is NCc1nc(NCc2ccccc2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is OKBUGAJPNKXBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c17-11-15-19-14(18-12-13-4-2-1-3-5-13)10-16(20-15)21-6-8-22-9-7-21/h1-5,10H,6-9,11-12,17H2,(H,18,19,20).
What are the key properties of 2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine?
2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 299.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 71454917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).