7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine

C12H17N5 — CID 166632073

IUPAC7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@@H]1CCCN1c1cc2c(N)ncnc2n1C
InChIInChI=1S/C12H17N5/c1-8-4-3-5-17(8)10-6-9-11(13)14-7-15-12(9)16(10)2/h6-8H,3-5H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
InChIKeyHJAJWIUCEYNBJM-MRVPVSSYSA-N
MW231.30 g/mol
LogP1.54
Rot. Bonds1

About 7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine

7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166632073) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166632073
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@@H]1CCCN1c1cc2c(N)ncnc2n1C
InChIInChI=1S/C12H17N5/c1-8-4-3-5-17(8)10-6-9-11(13)14-7-15-12(9)16(10)2/h6-8H,3-5H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
InChIKeyHJAJWIUCEYNBJM-MRVPVSSYSA-N
XLogP1.54
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 166632073) is 7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine is C[C@@H]1CCCN1c1cc2c(N)ncnc2n1C.
What is the InChIKey of 7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HJAJWIUCEYNBJM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-4-3-5-17(8)10-6-9-11(13)14-7-15-12(9)16(10)2/h6-8H,3-5H2,1-2H3,(H2,13,14,15)/t8-/m1/s1.
What are the key properties of 7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166632073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).