2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine

C18H24N4O — CID 112868535

IUPAC2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(OC(C)C)cc2)cc(N2CCCC2)n1
InChIInChI=1S/C18H24N4O/c1-13(2)23-16-8-6-15(7-9-16)21-17-12-18(20-14(3)19-17)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeySARVMIMAYRXQBI-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.92
Rot. Bonds5

About 2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine

2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112868535) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112868535
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(OC(C)C)cc2)cc(N2CCCC2)n1
InChIInChI=1S/C18H24N4O/c1-13(2)23-16-8-6-15(7-9-16)21-17-12-18(20-14(3)19-17)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeySARVMIMAYRXQBI-UHFFFAOYSA-N
XLogP3.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868530
4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878027
4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112868724
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748481
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748367
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934172
N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868580
1-[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 99975814
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 99968449
6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112870948

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 112868535) is 2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine is Cc1nc(Nc2ccc(OC(C)C)cc2)cc(N2CCCC2)n1.
What is the InChIKey of 2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is SARVMIMAYRXQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(2)23-16-8-6-15(7-9-16)21-17-12-18(20-14(3)19-17)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of 2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112868535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).