N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine

C17H22N4O — CID 112883925

IUPACN-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCC(C)Oc1ccccc1Nc1nccc(N2CCCC2)n1
InChIInChI=1S/C17H22N4O/c1-13(2)22-15-8-4-3-7-14(15)19-17-18-10-9-16(20-17)21-11-5-6-12-21/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,18,19,20)
InChIKeyIQFCQOOPIMKHBO-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.61
Rot. Bonds5

About N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine

N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112883925) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112883925
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCC(C)Oc1ccccc1Nc1nccc(N2CCCC2)n1
InChIInChI=1S/C17H22N4O/c1-13(2)22-15-8-4-3-7-14(15)19-17-18-10-9-16(20-17)21-11-5-6-12-21/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,18,19,20)
InChIKeyIQFCQOOPIMKHBO-UHFFFAOYSA-N
XLogP3.61
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-N-(2-ethoxyphenyl)pyrimidin-2-amine
CID 112901569
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785
N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884584
N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888309
N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884524
N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 70943141
4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine
CID 112888352
4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112902915
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 112897424
ethyl 2-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]benzoate
CID 112883979
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 112883925) is N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine is CC(C)Oc1ccccc1Nc1nccc(N2CCCC2)n1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is IQFCQOOPIMKHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(2)22-15-8-4-3-7-14(15)19-17-18-10-9-16(20-17)21-11-5-6-12-21/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112883925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).