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

C11H13F2N5 — CID 145134213

IUPACN-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC1(F)CNCCC1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C11H13F2N5/c12-11(13)5-14-3-2-8(11)18-10-7-1-4-15-9(7)16-6-17-10/h1,4,6,8,14H,2-3,5H2,(H2,15,16,17,18)
InChIKeyYHNBXXVTSPPMIM-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.37
Rot. Bonds2

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

N-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 145134213) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID145134213
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC1(F)CNCCC1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C11H13F2N5/c12-11(13)5-14-3-2-8(11)18-10-7-1-4-15-9(7)16-6-17-10/h1,4,6,8,14H,2-3,5H2,(H2,15,16,17,18)
InChIKeyYHNBXXVTSPPMIM-UHFFFAOYSA-N
XLogP1.37
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 164818371
N-(2-fluorocyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 126857850
N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134215403
N-[(3R,5S)-5-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118115879
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
N-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155773580
N-[1-(2-methylpropyl)piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 136522620
N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167843829
3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidine-1-carboxylic acid
CID 118116183
N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide
CID 70795716
3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane
CID 154505925
1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]propan-1-one
CID 122568954

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 145134213) is N-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is FC1(F)CNCCC1Nc1ncnc2[nH]ccc12.
What is the InChIKey of N-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YHNBXXVTSPPMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c12-11(13)5-14-3-2-8(11)18-10-7-1-4-15-9(7)16-6-17-10/h1,4,6,8,14H,2-3,5H2,(H2,15,16,17,18).
What are the key properties of N-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 253.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 145134213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).