2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine

C17H19N7 — CID 172903181

IUPAC2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3ncnc4[nH]ccc34)C2)nc(C2CC2)n1
InChIInChI=1S/C17H19N7/c1-2-11(1)15-18-7-4-14(23-15)22-12-5-8-24(9-12)17-13-3-6-19-16(13)20-10-21-17/h3-4,6-7,10-12H,1-2,5,8-9H2,(H,18,22,23)(H,19,20,21)
InChIKeyNBMYFORWBJYGAQ-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.32
Rot. Bonds4

About 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine

2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 172903181) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID172903181
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3ncnc4[nH]ccc34)C2)nc(C2CC2)n1
InChIInChI=1S/C17H19N7/c1-2-11(1)15-18-7-4-14(23-15)22-12-5-8-24(9-12)17-13-3-6-19-16(13)20-10-21-17/h3-4,6-7,10-12H,1-2,5,8-9H2,(H,18,22,23)(H,19,20,21)
InChIKeyNBMYFORWBJYGAQ-UHFFFAOYSA-N
XLogP2.32
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 172903254
2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904041
2-cyclopropyl-N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902294
3-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazol-2-one
CID 174680205
6-methoxy-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888329
N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 99773777
4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167838700
N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]prop-2-ene-1-sulfonamide
CID 175807806
N-cyclopropyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 141448653
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-2-cyclopropylpyrimidin-4-amine
CID 175649469
4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 70719126
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 172903181) is 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine is c1cc(NC2CCN(c3ncnc4[nH]ccc34)C2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is NBMYFORWBJYGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-2-11(1)15-18-7-4-14(23-15)22-12-5-8-24(9-12)17-13-3-6-19-16(13)20-10-21-17/h3-4,6-7,10-12H,1-2,5,8-9H2,(H,18,22,23)(H,19,20,21).
What are the key properties of 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 321.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172903181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).