4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine

C16H22N4O — CID 104591319

IUPAC4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(NCC(C)c2ccccc2)c1N
InChIInChI=1S/C16H22N4O/c1-11(2)21-16-14(17)15(19-10-20-16)18-9-12(3)13-7-5-4-6-8-13/h4-8,10-12H,9,17H2,1-3H3,(H,18,19,20)
InChIKeyWPBAZAHCDNUOHM-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.06
Rot. Bonds6

About 4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 104591319) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID104591319
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(NCC(C)c2ccccc2)c1N
InChIInChI=1S/C16H22N4O/c1-11(2)21-16-14(17)15(19-10-20-16)18-9-12(3)13-7-5-4-6-8-13/h4-8,10-12H,9,17H2,1-3H3,(H,18,19,20)
InChIKeyWPBAZAHCDNUOHM-UHFFFAOYSA-N
XLogP3.06
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 113430292
4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19150555
6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152546
4-N-(3-methylbut-2-enyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 106182572
4-N-(2-phenylpropyl)quinazoline-4,7-diamine
CID 104591254
1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 104591312
4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 114954606
6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine
CID 82942129
6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 82455277
1-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244013
6-propan-2-yloxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-4,5-diamine
CID 106426289
4-N-(3-cyclopentylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 106007220

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine (CID 104591319) is 4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine is CC(C)Oc1ncnc(NCC(C)c2ccccc2)c1N.
What is the InChIKey of 4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is WPBAZAHCDNUOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)21-16-14(17)15(19-10-20-16)18-9-12(3)13-7-5-4-6-8-13/h4-8,10-12H,9,17H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 104591319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).