4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine

C13H19N5 — CID 171383860

IUPAC4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine
SMILESCc1nc2nc(NCC(C)C)nc(C)c2nc1C
InChIInChI=1S/C13H19N5/c1-7(2)6-14-13-17-10(5)11-12(18-13)16-9(4)8(3)15-11/h7H,6H2,1-5H3,(H,14,16,17,18)
InChIKeySQRSVCOCEYETJG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.41
Rot. Bonds3

About 4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine

4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine (PubChem CID 171383860) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine.

Molecular Properties

Compound Name4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine
PubChem CID171383860
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine
SMILESCc1nc2nc(NCC(C)C)nc(C)c2nc1C
InChIInChI=1S/C13H19N5/c1-7(2)6-14-13-17-10(5)11-12(18-13)16-9(4)8(3)15-11/h7H,6H2,1-5H3,(H,14,16,17,18)
InChIKeySQRSVCOCEYETJG-UHFFFAOYSA-N
XLogP2.41
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine?
The IUPAC name of 4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine (CID 171383860) is 4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine.
What is the SMILES notation for 4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine?
The canonical SMILES for 4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine is Cc1nc2nc(NCC(C)C)nc(C)c2nc1C.
What is the InChIKey of 4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine?
The InChIKey is SQRSVCOCEYETJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-7(2)6-14-13-17-10(5)11-12(18-13)16-9(4)8(3)15-11/h7H,6H2,1-5H3,(H,14,16,17,18).
What are the key properties of 4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine?
4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-N-(2-methylpropyl)pteridin-2-amine is sourced from PubChem (CID 171383860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).