N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine

C18H24N4 — CID 112879854

IUPACN-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCC(C)Nc1cc(N2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-3-14(2)19-16-13-17(22-11-7-8-12-22)21-18(20-16)15-9-5-4-6-10-15/h4-6,9-10,13-14H,3,7-8,11-12H2,1-2H3,(H,19,20,21)
InChIKeyGCGKXCLVINFRPZ-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.95
Rot. Bonds5

About N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine

N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112879854) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112879854
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCC(C)Nc1cc(N2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-3-14(2)19-16-13-17(22-11-7-8-12-22)21-18(20-16)15-9-5-4-6-10-15/h4-6,9-10,13-14H,3,7-8,11-12H2,1-2H3,(H,19,20,21)
InChIKeyGCGKXCLVINFRPZ-UHFFFAOYSA-N
XLogP3.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-N-butan-2-yl-2-phenylpyrimidin-4-amine
CID 112879898
2-phenyl-6-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 112879295
ethyl 4-[6-(butan-2-ylamino)-2-phenylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112879888
6-(azepan-1-yl)-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 112879821
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine
CID 112868302
4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879173
6-morpholin-4-yl-2-phenyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112880500
4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879574
5-methyl-N-(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)-1,2-oxazol-3-amine
CID 112880152
N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879949
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112881321
N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880106

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 112879854) is N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine is CCC(C)Nc1cc(N2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is GCGKXCLVINFRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-14(2)19-16-13-17(22-11-7-8-12-22)21-18(20-16)15-9-5-4-6-10-15/h4-6,9-10,13-14H,3,7-8,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112879854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).