6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine

C12H20N6 — CID 71373653

IUPAC6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine
SMILESCC(C)C1=Nc2c(N)nc(N)nc2NC1C(C)C
InChIInChI=1S/C12H20N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6,8H,1-4H3,(H5,13,14,16,17,18)
InChIKeyGKLLXFGTZBQXPK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.82
Rot. Bonds2

About 6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine

6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine (PubChem CID 71373653) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine.

Molecular Properties

Compound Name6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine
PubChem CID71373653
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine
SMILESCC(C)C1=Nc2c(N)nc(N)nc2NC1C(C)C
InChIInChI=1S/C12H20N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6,8H,1-4H3,(H5,13,14,16,17,18)
InChIKeyGKLLXFGTZBQXPK-UHFFFAOYSA-N
XLogP1.82
TPSA102.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine?
The IUPAC name of 6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine (CID 71373653) is 6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine.
What is the SMILES notation for 6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine?
The canonical SMILES for 6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine is CC(C)C1=Nc2c(N)nc(N)nc2NC1C(C)C.
What is the InChIKey of 6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine?
The InChIKey is GKLLXFGTZBQXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6,8H,1-4H3,(H5,13,14,16,17,18).
What are the key properties of 6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine?
6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine has a molecular weight of 248.33 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(propan-2-yl)-7,8-dihydropteridine-2,4-diamine is sourced from PubChem (CID 71373653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).