2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine

C12H16Cl2N6 — CID 620785

IUPAC2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine
SMILESCC(C)Nc1nc2nc(Cl)nc(Cl)c2nc1NC(C)C
InChIInChI=1S/C12H16Cl2N6/c1-5(2)15-10-11(16-6(3)4)19-9-7(17-10)8(13)18-12(14)20-9/h5-6H,1-4H3,(H,15,17)(H,16,18,19,20)
InChIKeySWVHCZJQPBCGOS-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.37
Rot. Bonds4

About 2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine

2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine (PubChem CID 620785) has the molecular formula C12H16Cl2N6 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine.

Molecular Properties

Compound Name2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine
PubChem CID620785
Molecular FormulaC12H16Cl2N6
Molecular Weight315.21 g/mol
Exact Mass314.08
IUPAC Name2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine
SMILESCC(C)Nc1nc2nc(Cl)nc(Cl)c2nc1NC(C)C
InChIInChI=1S/C12H16Cl2N6/c1-5(2)15-10-11(16-6(3)4)19-9-7(17-10)8(13)18-12(14)20-9/h5-6H,1-4H3,(H,15,17)(H,16,18,19,20)
InChIKeySWVHCZJQPBCGOS-UHFFFAOYSA-N
XLogP3.37
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine?
The IUPAC name of 2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine (CID 620785) is 2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine.
What is the SMILES notation for 2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine?
The canonical SMILES for 2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine is CC(C)Nc1nc2nc(Cl)nc(Cl)c2nc1NC(C)C.
What is the InChIKey of 2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine?
The InChIKey is SWVHCZJQPBCGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N6/c1-5(2)15-10-11(16-6(3)4)19-9-7(17-10)8(13)18-12(14)20-9/h5-6H,1-4H3,(H,15,17)(H,16,18,19,20).
What are the key properties of 2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine?
2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine has a molecular weight of 315.21 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-N,7-N-di(propan-2-yl)pteridine-6,7-diamine is sourced from PubChem (CID 620785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).