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

C14H21N5 — CID 172970903

IUPACN-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCC1CCNCC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C14H21N5/c1-3-10-4-6-15-8-12(10)19(2)14-11-5-7-16-13(11)17-9-18-14/h5,7,9-10,12,15H,3-4,6,8H2,1-2H3,(H,16,17,18)
InChIKeySFCNQRRQFRNFHA-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.78
Rot. Bonds3

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

N-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 172970903) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID172970903
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCC1CCNCC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C14H21N5/c1-3-10-4-6-15-8-12(10)19(2)14-11-5-7-16-13(11)17-9-18-14/h5,7,9-10,12,15H,3-4,6,8H2,1-2H3,(H,16,17,18)
InChIKeySFCNQRRQFRNFHA-UHFFFAOYSA-N
XLogP1.78
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 78357867
N-methyl-N-[4-(2-phenylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69428176
2-chloro-N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 159001714
N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172970961
N-(2,4-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68682476
N-[(7R)-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118911509
N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22484511
N-methyl-N-(4-propan-2-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68679684
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160618729
N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537152
N-(1-ethylsulfonylpyrrolidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537153
2-deuterio-N-(dideuteriomethyl)-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 123939106

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 172970903) is N-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCC1CCNCC1N(C)c1ncnc2[nH]ccc12.
What is the InChIKey of N-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SFCNQRRQFRNFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-10-4-6-15-8-12(10)19(2)14-11-5-7-16-13(11)17-9-18-14/h5,7,9-10,12,15H,3-4,6,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 172970903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).