N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine

C16H21F2N5 — CID 156872035

IUPACN-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN1CCC(Cn2ccc3c(NC4CC4)ncnc32)C(F)(F)C1
InChIInChI=1S/C16H21F2N5/c1-22-6-4-11(16(17,18)9-22)8-23-7-5-13-14(21-12-2-3-12)19-10-20-15(13)23/h5,7,10-12H,2-4,6,8-9H2,1H3,(H,19,20,21)
InChIKeyASISKQMLYHVUOU-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.59
Rot. Bonds4

About N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine

N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 156872035) has the molecular formula C16H21F2N5 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID156872035
Molecular FormulaC16H21F2N5
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN1CCC(Cn2ccc3c(NC4CC4)ncnc32)C(F)(F)C1
InChIInChI=1S/C16H21F2N5/c1-22-6-4-11(16(17,18)9-22)8-23-7-5-13-14(21-12-2-3-12)19-10-20-15(13)23/h5,7,10-12H,2-4,6,8-9H2,1H3,(H,19,20,21)
InChIKeyASISKQMLYHVUOU-UHFFFAOYSA-N
XLogP2.59
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-cyclopropyl-7-[(2-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 10401508
N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 172901042
N-(1,1-dioxothiolan-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110874971
2-[(4S)-4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,3-difluoropiperidin-1-yl]acetamide
CID 156871963
7-[(3aS,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
CID 67816524
N-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 60710802
9-butyl-N-cyclopropylpurin-6-amine
CID 10799535
6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
CID 175487045
7-[(3aS,6R,6aR)-6-(azidomethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
CID 118548294
7-[(3aS,4R,6R,6aR)-6-(azidomethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-N-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
CID 86705744
6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 63730271
(4-methylphenyl)methyl 3,3-difluoro-4-[[(7-iodosulfanylpyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 145200383

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 156872035) is N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is CN1CCC(Cn2ccc3c(NC4CC4)ncnc32)C(F)(F)C1.
What is the InChIKey of N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ASISKQMLYHVUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5/c1-22-6-4-11(16(17,18)9-22)8-23-7-5-13-14(21-12-2-3-12)19-10-20-15(13)23/h5,7,10-12H,2-4,6,8-9H2,1H3,(H,19,20,21).
What are the key properties of N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 321.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 156872035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).