4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine

C12H14N6 — CID 154199208

IUPAC4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine
SMILESCn1cc2ccc(C3(N)C=CNC(N)=N3)cc2n1
InChIInChI=1S/C12H14N6/c1-18-7-8-2-3-9(6-10(8)17-18)12(14)4-5-15-11(13)16-12/h2-7H,14H2,1H3,(H3,13,15,16)
InChIKeyWLOMHPPMNLRPMV-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.12
Rot. Bonds1

About 4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine

4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine (PubChem CID 154199208) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine
PubChem CID154199208
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine
SMILESCn1cc2ccc(C3(N)C=CNC(N)=N3)cc2n1
InChIInChI=1S/C12H14N6/c1-18-7-8-2-3-9(6-10(8)17-18)12(14)4-5-15-11(13)16-12/h2-7H,14H2,1H3,(H3,13,15,16)
InChIKeyWLOMHPPMNLRPMV-UHFFFAOYSA-N
XLogP0.12
TPSA94.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine (CID 154199208) is 4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine is Cn1cc2ccc(C3(N)C=CNC(N)=N3)cc2n1.
What is the InChIKey of 4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine?
The InChIKey is WLOMHPPMNLRPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-18-7-8-2-3-9(6-10(8)17-18)12(14)4-5-15-11(13)16-12/h2-7H,14H2,1H3,(H3,13,15,16).
What are the key properties of 4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine?
4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine has a molecular weight of 242.29 g/mol, XLogP of 0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylindazol-6-yl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154199208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).