4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine

C14H14N4 — CID 82292204

IUPAC4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine
SMILESCc1c(-c2ccnc(N)n2)c2ccccc2n1C
InChIInChI=1S/C14H14N4/c1-9-13(11-7-8-16-14(15)17-11)10-5-3-4-6-12(10)18(9)2/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyIGTLSYLAVWHZRV-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.53
Rot. Bonds1

About 4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine

4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine (PubChem CID 82292204) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine
PubChem CID82292204
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine
SMILESCc1c(-c2ccnc(N)n2)c2ccccc2n1C
InChIInChI=1S/C14H14N4/c1-9-13(11-7-8-16-14(15)17-11)10-5-3-4-6-12(10)18(9)2/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyIGTLSYLAVWHZRV-UHFFFAOYSA-N
XLogP2.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine (CID 82292204) is 4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine is Cc1c(-c2ccnc(N)n2)c2ccccc2n1C.
What is the InChIKey of 4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine?
The InChIKey is IGTLSYLAVWHZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-13(11-7-8-16-14(15)17-11)10-5-3-4-6-12(10)18(9)2/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine?
4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 82292204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).