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

C13H18N4 — CID 172970961

IUPACN-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCCC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C13H18N4/c1-9-4-3-5-11(9)17(2)13-10-6-7-14-12(10)15-8-16-13/h6-9,11H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyUVWGASRPCFVZJJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.58
Rot. Bonds2

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

N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 172970961) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID172970961
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCCC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C13H18N4/c1-9-4-3-5-11(9)17(2)13-10-6-7-14-12(10)15-8-16-13/h6-9,11H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyUVWGASRPCFVZJJ-UHFFFAOYSA-N
XLogP2.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 70208859
N-(2,4-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68682476
N-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 78357867
N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22484511
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
(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 57434379
N-methyl-N-(4-propan-2-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68679684
N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine
CID 157185831
N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 68742122
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
(3,4-dihydroxypyrrolidin-1-yl)-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 22282974
N-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22282908

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 172970961) is N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC1CCCC1N(C)c1ncnc2[nH]ccc12.
What is the InChIKey of N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UVWGASRPCFVZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-4-3-5-11(9)17(2)13-10-6-7-14-12(10)15-8-16-13/h6-9,11H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 230.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 172970961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).