N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine

C15H18N4O — CID 107588098

IUPACN-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine
SMILESc1ncc(NCc2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C15H18N4O/c1-3-15(19-5-7-20-8-6-19)4-2-13(1)9-18-14-10-16-12-17-11-14/h1-4,10-12,18H,5-9H2
InChIKeyCZSCAQXRYJGXRI-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.93
Rot. Bonds4

About N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine

N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine (PubChem CID 107588098) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine
PubChem CID107588098
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine
SMILESc1ncc(NCc2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C15H18N4O/c1-3-15(19-5-7-20-8-6-19)4-2-13(1)9-18-14-10-16-12-17-11-14/h1-4,10-12,18H,5-9H2
InChIKeyCZSCAQXRYJGXRI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
CID 133338821
1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732148
N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724722
N-(1,3-benzodioxol-5-ylmethyl)-4-morpholin-4-ylaniline
CID 755929
4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
CID 63180269
N-benzyl-6-morpholin-4-ylpyridin-3-amine
CID 43724757
2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 60658076
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
CID 115758040
4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
CID 961221
4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline
CID 63180016
(4-morpholin-4-ylphenyl)methanol
CID 2776456

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine (CID 107588098) is N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine is c1ncc(NCc2ccc(N3CCOCC3)cc2)cn1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine?
The InChIKey is CZSCAQXRYJGXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-15(19-5-7-20-8-6-19)4-2-13(1)9-18-14-10-16-12-17-11-14/h1-4,10-12,18H,5-9H2.
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine?
N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-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-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 107588098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).