5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine

C18H22FN7 — CID 155974837

IUPAC5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCc1ncnc(N(C)CC2CCN(c3ncnc4[nH]ccc34)CC2)c1F
InChIInChI=1S/C18H22FN7/c1-12-15(19)18(24-10-21-12)25(2)9-13-4-7-26(8-5-13)17-14-3-6-20-16(14)22-11-23-17/h3,6,10-11,13H,4-5,7-9H2,1-2H3,(H,20,22,23)
InChIKeyNFOJPYMGIIJHEQ-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.55
Rot. Bonds4

About 5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine

5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 155974837) has the molecular formula C18H22FN7 and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine
PubChem CID155974837
Molecular FormulaC18H22FN7
Molecular Weight355.42 g/mol
Exact Mass355.19
IUPAC Name5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCc1ncnc(N(C)CC2CCN(c3ncnc4[nH]ccc34)CC2)c1F
InChIInChI=1S/C18H22FN7/c1-12-15(19)18(24-10-21-12)25(2)9-13-4-7-26(8-5-13)17-14-3-6-20-16(14)22-11-23-17/h3,6,10-11,13H,4-5,7-9H2,1-2H3,(H,20,22,23)
InChIKeyNFOJPYMGIIJHEQ-UHFFFAOYSA-N
XLogP2.55
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
4-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 146084212
5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 163344230
6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 163348673
5-fluoro-N,6-dimethyl-N-[[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 163348541
4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 67249697
5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine
CID 163344006
N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 99773777
N-methyl-N-prop-2-ynyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 123829826
3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 102809546
5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 136513090
1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethenamine;hydrochloride
CID 166509639

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine (CID 155974837) is 5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine is Cc1ncnc(N(C)CC2CCN(c3ncnc4[nH]ccc34)CC2)c1F.
What is the InChIKey of 5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is NFOJPYMGIIJHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7/c1-12-15(19)18(24-10-21-12)25(2)9-13-4-7-26(8-5-13)17-14-3-6-20-16(14)22-11-23-17/h3,6,10-11,13H,4-5,7-9H2,1-2H3,(H,20,22,23).
What are the key properties of 5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine?
5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 355.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 155974837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).