6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene

C15H19ClN4 — CID 142292877

IUPAC6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCCc2ccccc21.Nc1ncnc(Cl)c1N
InChIInChI=1S/C11H14.C4H5ClN4/c1-9-5-4-7-10-6-2-3-8-11(9)10;5-3-2(6)4(7)9-1-8-3/h2-3,6,8-9H,4-5,7H2,1H3;1H,6H2,(H2,7,8,9)
InChIKeyHEPFEESETDVJNA-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.42
Rot. Bonds

About 6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene

6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 142292877) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID142292877
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCCc2ccccc21.Nc1ncnc(Cl)c1N
InChIInChI=1S/C11H14.C4H5ClN4/c1-9-5-4-7-10-6-2-3-8-11(9)10;5-3-2(6)4(7)9-1-8-3/h2-3,6,8-9H,4-5,7H2,1H3;1H,6H2,(H2,7,8,9)
InChIKeyHEPFEESETDVJNA-UHFFFAOYSA-N
XLogP3.42
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene (CID 142292877) is 6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene is CC1CCCc2ccccc21.Nc1ncnc(Cl)c1N.
What is the InChIKey of 6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is HEPFEESETDVJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C4H5ClN4/c1-9-5-4-7-10-6-2-3-8-11(9)10;5-3-2(6)4(7)9-1-8-3/h2-3,6,8-9H,4-5,7H2,1H3;1H,6H2,(H2,7,8,9).
What are the key properties of 6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene?
6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 290.80 g/mol, XLogP of 3.42, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 142292877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).