2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine

C18H23N3O — CID 133304220

IUPAC2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine
SMILESCOc1ccc(C(C)(C)CNc2ccnc(C3CC3)n2)cc1
InChIInChI=1S/C18H23N3O/c1-18(2,14-6-8-15(22-3)9-7-14)12-20-16-10-11-19-17(21-16)13-4-5-13/h6-11,13H,4-5,12H2,1-3H3,(H,19,20,21)
InChIKeyNBAMAKIMOIQDHS-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.75
Rot. Bonds6

About 2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine

2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine (PubChem CID 133304220) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine
PubChem CID133304220
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine
SMILESCOc1ccc(C(C)(C)CNc2ccnc(C3CC3)n2)cc1
InChIInChI=1S/C18H23N3O/c1-18(2,14-6-8-15(22-3)9-7-14)12-20-16-10-11-19-17(21-16)13-4-5-13/h6-11,13H,4-5,12H2,1-3H3,(H,19,20,21)
InChIKeyNBAMAKIMOIQDHS-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine (CID 133304220) is 2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine is COc1ccc(C(C)(C)CNc2ccnc(C3CC3)n2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine?
The InChIKey is NBAMAKIMOIQDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-18(2,14-6-8-15(22-3)9-7-14)12-20-16-10-11-19-17(21-16)13-4-5-13/h6-11,13H,4-5,12H2,1-3H3,(H,19,20,21).
What are the key properties of 2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine?
2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine has a molecular weight of 297.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine is sourced from PubChem (CID 133304220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).