N-benzyl-2-morpholin-4-ylpyrimidin-4-amine

C15H18N4O — CID 46891015

IUPACN-benzyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESc1ccc(CNc2ccnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C15H18N4O/c1-2-4-13(5-3-1)12-17-14-6-7-16-15(18-14)19-8-10-20-11-9-19/h1-7H,8-12H2,(H,16,17,18)
InChIKeyPKTXFNWLILBNOJ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.93
Rot. Bonds4

About N-benzyl-2-morpholin-4-ylpyrimidin-4-amine

N-benzyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 46891015) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-benzyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID46891015
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-benzyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESc1ccc(CNc2ccnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C15H18N4O/c1-2-4-13(5-3-1)12-17-14-6-7-16-15(18-14)19-8-10-20-11-9-19/h1-7H,8-12H2,(H,16,17,18)
InChIKeyPKTXFNWLILBNOJ-UHFFFAOYSA-N
XLogP1.93
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 122048301
2-(azepan-1-yl)-N-benzylpyrimidin-4-amine
CID 112889457
1-[4-[4-(benzylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 54587266
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
N'-(2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 121204896
2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 117079763
N-benzyl-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 54582423
2-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112884645
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112891904
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886567
2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112935500

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-morpholin-4-ylpyrimidin-4-amine (CID 46891015) is N-benzyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-morpholin-4-ylpyrimidin-4-amine is c1ccc(CNc2ccnc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-benzyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is PKTXFNWLILBNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-4-13(5-3-1)12-17-14-6-7-16-15(18-14)19-8-10-20-11-9-19/h1-7H,8-12H2,(H,16,17,18).
What are the key properties of N-benzyl-2-morpholin-4-ylpyrimidin-4-amine?
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 270.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 46891015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).