6-phenoxy-N,2-dipropylpyrimidin-4-amine

C16H21N3O — CID 80949625

IUPAC6-phenoxy-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccccc2)nc(CCC)n1
InChIInChI=1S/C16H21N3O/c1-3-8-14-18-15(17-11-4-2)12-16(19-14)20-13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,18,19)
InChIKeyKUTIZTPCKAQHAD-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.04
Rot. Bonds7

About 6-phenoxy-N,2-dipropylpyrimidin-4-amine

6-phenoxy-N,2-dipropylpyrimidin-4-amine (PubChem CID 80949625) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-phenoxy-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-phenoxy-N,2-dipropylpyrimidin-4-amine
PubChem CID80949625
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-phenoxy-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccccc2)nc(CCC)n1
InChIInChI=1S/C16H21N3O/c1-3-8-14-18-15(17-11-4-2)12-16(19-14)20-13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,18,19)
InChIKeyKUTIZTPCKAQHAD-UHFFFAOYSA-N
XLogP4.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-phenoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80946591
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol
CID 80942920
4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile
CID 80944234
N-ethyl-6-(2-methoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80944699
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine
CID 80949834
6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80950205
[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947768
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947208

Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-phenoxy-N,2-dipropylpyrimidin-4-amine (CID 80949625) is 6-phenoxy-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-phenoxy-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-phenoxy-N,2-dipropylpyrimidin-4-amine is CCCNc1cc(Oc2ccccc2)nc(CCC)n1.
What is the InChIKey of 6-phenoxy-N,2-dipropylpyrimidin-4-amine?
The InChIKey is KUTIZTPCKAQHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-8-14-18-15(17-11-4-2)12-16(19-14)20-13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,18,19).
What are the key properties of 6-phenoxy-N,2-dipropylpyrimidin-4-amine?
6-phenoxy-N,2-dipropylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80949625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).