N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H14N4 — CID 5359646

IUPACN-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)c2cc[nH]c2n1
InChIInChI=1S/C14H14N4/c1-10-17-13-12(7-8-15-13)14(18-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,15,16,17,18)
InChIKeyHPZHFGBKCGWNGN-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.88
Rot. Bonds3

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

N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 5359646) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID5359646
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)c2cc[nH]c2n1
InChIInChI=1S/C14H14N4/c1-10-17-13-12(7-8-15-13)14(18-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,15,16,17,18)
InChIKeyHPZHFGBKCGWNGN-UHFFFAOYSA-N
XLogP2.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 5359646) is N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2ccccc2)c2cc[nH]c2n1.
What is the InChIKey of N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HPZHFGBKCGWNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-17-13-12(7-8-15-13)14(18-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,15,16,17,18).
What are the key properties of N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 238.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5359646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).