5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine

C17H23N3O — CID 80975371

IUPAC5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1ccccc1OC(C)C
InChIInChI=1S/C17H23N3O/c1-10(2)17-19-15(12(5)16(18)20-17)13-8-6-7-9-14(13)21-11(3)4/h6-11H,1-5H3,(H2,18,19,20)
InChIKeyIPPRQHQCPSDHGY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.94
Rot. Bonds4

About 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine

5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 80975371) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID80975371
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1ccccc1OC(C)C
InChIInChI=1S/C17H23N3O/c1-10(2)17-19-15(12(5)16(18)20-17)13-8-6-7-9-14(13)21-11(3)4/h6-11H,1-5H3,(H2,18,19,20)
InChIKeyIPPRQHQCPSDHGY-UHFFFAOYSA-N
XLogP3.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Enecadin
CID 6433114
5-(3-Chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine
CID 10927461
6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
5-(3-{3-[(2,4-Diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 50992060
5-(3-(2,5-Dimethoxyphenyl)prop-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine
CID 25058133
5-[(3s)-3-(2-Methoxybiphenyl-4-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
CID 25195365
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
CID 9800750
2,4-Quinazolinediamine, 5-ethoxy-
CID 461900
Pyrimidine, 5-hexyl-2-[4-(nonyloxy)phenyl]-
CID 3084983
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
5-[3-(3-Methoxy-4-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25093365
5-[3-(2,5-Dimethoxyphenyl)prop-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25138223

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 80975371) is 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1-c1ccccc1OC(C)C.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is IPPRQHQCPSDHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10(2)17-19-15(12(5)16(18)20-17)13-8-6-7-9-14(13)21-11(3)4/h6-11H,1-5H3,(H2,18,19,20).
What are the key properties of 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80975371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).