6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine

C14H17N3O — CID 82293784

IUPAC6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine
SMILESCC(C)COc1ccc(-c2cc(N)ncn2)cc1
InChIInChI=1S/C14H17N3O/c1-10(2)8-18-12-5-3-11(4-6-12)13-7-14(15)17-9-16-13/h3-7,9-10H,8H2,1-2H3,(H2,15,16,17)
InChIKeyDFCSFMJRAMWUNL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.76
Rot. Bonds4

About 6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine

6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine (PubChem CID 82293784) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine
PubChem CID82293784
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine
SMILESCC(C)COc1ccc(-c2cc(N)ncn2)cc1
InChIInChI=1S/C14H17N3O/c1-10(2)8-18-12-5-3-11(4-6-12)13-7-14(15)17-9-16-13/h3-7,9-10H,8H2,1-2H3,(H2,15,16,17)
InChIKeyDFCSFMJRAMWUNL-UHFFFAOYSA-N
XLogP2.76
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
CID 28908778
2-[4-(2-methylpropoxy)phenyl]pyridine
CID 57293788
[4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
CID 95457468
4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine
CID 24902044
4-[4-(2-methylpropoxy)phenyl]thiophen-2-amine
CID 82479976
5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine
CID 82479094
4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine
CID 61393233
2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853017
6-(4-methylphenyl)-7-[4-(2-methylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 70288002
6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine
CID 146208120
[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol
CID 82453206
4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine
CID 74242452

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine (CID 82293784) is 6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine is CC(C)COc1ccc(-c2cc(N)ncn2)cc1.
What is the InChIKey of 6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine?
The InChIKey is DFCSFMJRAMWUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)8-18-12-5-3-11(4-6-12)13-7-14(15)17-9-16-13/h3-7,9-10H,8H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine?
6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 82293784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).