N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C14H14N4 — CID 110875033

IUPACN,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ccccc1)c1ncnc2c1ccn2C
InChIInChI=1S/C14H14N4/c1-17-9-8-12-13(17)15-10-16-14(12)18(2)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyQHWTVAWQGAACAT-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.74
Rot. Bonds2

About N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine

N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110875033) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110875033
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ccccc1)c1ncnc2c1ccn2C
InChIInChI=1S/C14H14N4/c1-17-9-8-12-13(17)15-10-16-14(12)18(2)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyQHWTVAWQGAACAT-UHFFFAOYSA-N
XLogP2.74
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 110875033) is N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ccccc1)c1ncnc2c1ccn2C.
What is the InChIKey of N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QHWTVAWQGAACAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-17-9-8-12-13(17)15-10-16-14(12)18(2)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 238.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110875033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).