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

C18H21N7 — CID 172903254

IUPAC2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3ncnc4[nH]ccc34)CC2)nc(C2CC2)n1
InChIInChI=1S/C18H21N7/c1-2-12(1)16-19-8-4-15(24-16)23-13-5-9-25(10-6-13)18-14-3-7-20-17(14)21-11-22-18/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,19,23,24)(H,20,21,22)
InChIKeyGRWLRFBFUXKGLE-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.71
Rot. Bonds4

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

2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 172903254) has the molecular formula C18H21N7 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID172903254
Molecular FormulaC18H21N7
Molecular Weight335.41 g/mol
Exact Mass335.19
IUPAC Name2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3ncnc4[nH]ccc34)CC2)nc(C2CC2)n1
InChIInChI=1S/C18H21N7/c1-2-12(1)16-19-8-4-15(24-16)23-13-5-9-25(10-6-13)18-14-3-7-20-17(14)21-11-22-18/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,19,23,24)(H,20,21,22)
InChIKeyGRWLRFBFUXKGLE-UHFFFAOYSA-N
XLogP2.71
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172903181
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
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904041
1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethenamine;hydrochloride
CID 166509639
4-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 146084212
1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]azetidin-3-ol
CID 167818943
3-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-imidazol-2-one
CID 174680205
2-cyclopropyl-N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902294
N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 57382810
4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 67249697

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine (CID 172903254) is 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine is c1cc(NC2CCN(c3ncnc4[nH]ccc34)CC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is GRWLRFBFUXKGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-2-12(1)16-19-8-4-15(24-16)23-13-5-9-25(10-6-13)18-14-3-7-20-17(14)21-11-22-18/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,19,23,24)(H,20,21,22).
What are the key properties of 2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 335.41 g/mol, XLogP of 2.71, 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)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 172903254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).