6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H23N5 — CID 110430906

IUPAC6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCC(c3ccccc3)N3CCCC3)ncnc2[nH]1
InChIInChI=1S/C19H23N5/c1-14-11-16-18(21-13-22-19(16)23-14)20-12-17(24-9-5-6-10-24)15-7-3-2-4-8-15/h2-4,7-8,11,13,17H,5-6,9-10,12H2,1H3,(H2,20,21,22,23)
InChIKeyBROCEJYMNULBGP-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.52
Rot. Bonds5

About 6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430906) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430906
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCC(c3ccccc3)N3CCCC3)ncnc2[nH]1
InChIInChI=1S/C19H23N5/c1-14-11-16-18(21-13-22-19(16)23-14)20-12-17(24-9-5-6-10-24)15-7-3-2-4-8-15/h2-4,7-8,11,13,17H,5-6,9-10,12H2,1H3,(H2,20,21,22,23)
InChIKeyBROCEJYMNULBGP-UHFFFAOYSA-N
XLogP3.52
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627027
4-N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-N,2-N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 91960707
6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430105
1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 110430705
1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 110430946
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 4798081
N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 82538556
N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97124958
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
5,7-dimethyl-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190501
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430104
4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 124514317

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430906) is 6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCC(c3ccccc3)N3CCCC3)ncnc2[nH]1.
What is the InChIKey of 6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BROCEJYMNULBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-14-11-16-18(21-13-22-19(16)23-14)20-12-17(24-9-5-6-10-24)15-7-3-2-4-8-15/h2-4,7-8,11,13,17H,5-6,9-10,12H2,1H3,(H2,20,21,22,23).
What are the key properties of 6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 321.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).