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

C13H19N5 — CID 139024298

IUPACN-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine
SMILESC[C@@H]1CCNC[C@@H]1N(C)c1c[nH]c2ncncc12
InChIInChI=1S/C13H19N5/c1-9-3-4-14-6-11(9)18(2)12-7-16-13-10(12)5-15-8-17-13/h5,7-9,11,14H,3-4,6H2,1-2H3,(H,15,16,17)/t9-,11+/m1/s1
InChIKeyZUKFKLLWBDQXQH-KOLCDFICSA-N
MW245.33 g/mol
LogP1.39
Rot. Bonds2

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

N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine (PubChem CID 139024298) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine
PubChem CID139024298
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine
SMILESC[C@@H]1CCNC[C@@H]1N(C)c1c[nH]c2ncncc12
InChIInChI=1S/C13H19N5/c1-9-3-4-14-6-11(9)18(2)12-7-16-13-10(12)5-15-8-17-13/h5,7-9,11,14H,3-4,6H2,1-2H3,(H,15,16,17)/t9-,11+/m1/s1
InChIKeyZUKFKLLWBDQXQH-KOLCDFICSA-N
XLogP1.39
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine?
The IUPAC name of N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine (CID 139024298) is N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine?
The canonical SMILES for N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine is C[C@@H]1CCNC[C@@H]1N(C)c1c[nH]c2ncncc12.
What is the InChIKey of N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine?
The InChIKey is ZUKFKLLWBDQXQH-KOLCDFICSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-3-4-14-6-11(9)18(2)12-7-16-13-10(12)5-15-8-17-13/h5,7-9,11,14H,3-4,6H2,1-2H3,(H,15,16,17)/t9-,11+/m1/s1.
What are the key properties of N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine?
N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine has a molecular weight of 245.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 139024298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).