N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine

C18H24N4 — CID 112884073

IUPACN-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)c1ccccc1Nc1ccnc(N2CCCC2)n1
InChIInChI=1S/C18H24N4/c1-18(2,3)14-8-4-5-9-15(14)20-16-10-11-19-17(21-16)22-12-6-7-13-22/h4-5,8-11H,6-7,12-13H2,1-3H3,(H,19,20,21)
InChIKeyVCBCRBCSYINSOX-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.12
Rot. Bonds3

About N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine

N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112884073) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112884073
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)c1ccccc1Nc1ccnc(N2CCCC2)n1
InChIInChI=1S/C18H24N4/c1-18(2,3)14-8-4-5-9-15(14)20-16-10-11-19-17(21-16)22-12-6-7-13-22/h4-5,8-11H,6-7,12-13H2,1-3H3,(H,19,20,21)
InChIKeyVCBCRBCSYINSOX-UHFFFAOYSA-N
XLogP4.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884701
N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884703
2-[[2-(azepan-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112901682
2-(azepan-1-yl)-N-(2,3-dichlorophenyl)pyrimidin-4-amine
CID 112901677
N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957970
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899013
N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899006
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882053
2-(azepan-1-yl)-N-benzylpyrimidin-4-amine
CID 112889457
4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887514

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 112884073) is N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine is CC(C)(C)c1ccccc1Nc1ccnc(N2CCCC2)n1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is VCBCRBCSYINSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-18(2,3)14-8-4-5-9-15(14)20-16-10-11-19-17(21-16)22-12-6-7-13-22/h4-5,8-11H,6-7,12-13H2,1-3H3,(H,19,20,21).
What are the key properties of N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112884073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).