4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine

C16H20N4O — CID 115915604

IUPAC4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine
SMILESNc1cc(NCC2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c17-14-10-15(18-11-12-6-8-21-9-7-12)20-16(19-14)13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H3,17,18,19,20)
InChIKeyXWOXQEVLVRAGDC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.56
Rot. Bonds4

About 4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine

4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 115915604) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID115915604
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine
SMILESNc1cc(NCC2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c17-14-10-15(18-11-12-6-8-21-9-7-12)20-16(19-14)13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H3,17,18,19,20)
InChIKeyXWOXQEVLVRAGDC-UHFFFAOYSA-N
XLogP2.56
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915559
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103286
4-N-(2-methyloxolan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915747
N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62351550
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230
6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 115916260
2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine
CID 78989247
6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine
CID 80646699
4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 106332100
6-bromo-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 116795913
4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine
CID 115915661

Frequently Asked Questions

What is the IUPAC name of 4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine (CID 115915604) is 4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine is Nc1cc(NCC2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is XWOXQEVLVRAGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-14-10-15(18-11-12-6-8-21-9-7-12)20-16(19-14)13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H3,17,18,19,20).
What are the key properties of 4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 284.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 115915604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).