N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine

C16H22N4O — CID 115975353

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCc2ccc(CCN)cc2)n1
InChIInChI=1S/C16H22N4O/c1-12(2)21-15-8-10-18-16(20-15)19-11-14-5-3-13(4-6-14)7-9-17/h3-6,8,10,12H,7,9,11,17H2,1-2H3,(H,18,19,20)
InChIKeyXFSLLXSBAJKGAP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.38
Rot. Bonds7

About N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine

N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 115975353) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID115975353
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCc2ccc(CCN)cc2)n1
InChIInChI=1S/C16H22N4O/c1-12(2)21-15-8-10-18-16(20-15)19-11-14-5-3-13(4-6-14)7-9-17/h3-6,8,10,12H,7,9,11,17H2,1-2H3,(H,18,19,20)
InChIKeyXFSLLXSBAJKGAP-UHFFFAOYSA-N
XLogP2.38
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638872
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639457
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
CID 114384250
2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 114151108
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
CID 112637442
2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636067
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine (CID 115975353) is N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NCc2ccc(CCN)cc2)n1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is XFSLLXSBAJKGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)21-15-8-10-18-16(20-15)19-11-14-5-3-13(4-6-14)7-9-17/h3-6,8,10,12H,7,9,11,17H2,1-2H3,(H,18,19,20).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 115975353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).