(3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine

C13H19N5 — CID 46837630

IUPAC(3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
SMILESCCN[C@@H]1CCN(c2ncnc3[nH]cc(C)c23)C1
InChIInChI=1S/C13H19N5/c1-3-14-10-4-5-18(7-10)13-11-9(2)6-15-12(11)16-8-17-13/h6,8,10,14H,3-5,7H2,1-2H3,(H,15,16,17)/t10-/m1/s1
InChIKeyIAXCHEZVLGNNCH-SNVBAGLBSA-N
MW245.33 g/mol
LogP1.45
Rot. Bonds3

About (3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine

(3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 46837630) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is (3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID46837630
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name(3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
SMILESCCN[C@@H]1CCN(c2ncnc3[nH]cc(C)c23)C1
InChIInChI=1S/C13H19N5/c1-3-14-10-4-5-18(7-10)13-11-9(2)6-15-12(11)16-8-17-13/h6,8,10,14H,3-5,7H2,1-2H3,(H,15,16,17)/t10-/m1/s1
InChIKeyIAXCHEZVLGNNCH-SNVBAGLBSA-N
XLogP1.45
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Pyrrolidino-7-deazapurine
CID 4428602
4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 18008465
2-N-((1S)-1-(5-Fluoropyrimidin-2-yl)ethyl)-4-N-(1-methylimidazol-4-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 45275255
N-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 12662864
(3r)-1-(5-Methyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)pyrrolidin-3-Amine
CID 45480169
4-(Pyrrolidin-1-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Amine
CID 71138081
N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)methyl)formamide
CID 46837763
4-(2,5-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 9815801
1-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 11564772
N-cyclohexyl-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 12083227
N-cyclopentyl-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 12083230
2-methyl-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine
CID 18008429

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine (CID 46837630) is (3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine is CCN[C@@H]1CCN(c2ncnc3[nH]cc(C)c23)C1.
What is the InChIKey of (3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is IAXCHEZVLGNNCH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-14-10-4-5-18(7-10)13-11-9(2)6-15-12(11)16-8-17-13/h6,8,10,14H,3-5,7H2,1-2H3,(H,15,16,17)/t10-/m1/s1.
What are the key properties of (3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
(3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 245.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 46837630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).