[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine

C14H17N3O — CID 28908778

IUPAC[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
SMILESCC(C)Oc1ccc(-c2cc(CN)ncn2)cc1
InChIInChI=1S/C14H17N3O/c1-10(2)18-13-5-3-11(4-6-13)14-7-12(8-15)16-9-17-14/h3-7,9-10H,8,15H2,1-2H3
InChIKeyUFJXCYSDBVZVMQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.39
Rot. Bonds4

About [6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine

[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine (PubChem CID 28908778) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
PubChem CID28908778
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
SMILESCC(C)Oc1ccc(-c2cc(CN)ncn2)cc1
InChIInChI=1S/C14H17N3O/c1-10(2)18-13-5-3-11(4-6-13)14-7-12(8-15)16-9-17-14/h3-7,9-10H,8,15H2,1-2H3
InChIKeyUFJXCYSDBVZVMQ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine
CID 24902044
4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 82022788
6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine
CID 82293784
[6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride
CID 82022750
4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 157488014
N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 96667428
[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine
CID 28904662
[6-(4-cyclopropylphenyl)pyrimidin-4-yl]methanamine
CID 118008230
[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine
CID 83850253
[3-(4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82478088
ethane;[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]methanamine
CID 144826439
N-ethyl-2-(4-propan-2-yloxyphenyl)pyridin-4-amine
CID 102824750

Frequently Asked Questions

What is the IUPAC name of [6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine (CID 28908778) is [6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine is CC(C)Oc1ccc(-c2cc(CN)ncn2)cc1.
What is the InChIKey of [6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine?
The InChIKey is UFJXCYSDBVZVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)18-13-5-3-11(4-6-13)14-7-12(8-15)16-9-17-14/h3-7,9-10H,8,15H2,1-2H3.
What are the key properties of [6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine?
[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 28908778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).