N-butan-2-yl-4,6,7-trimethylpteridin-2-amine

C13H19N5 — CID 171384297

IUPACN-butan-2-yl-4,6,7-trimethylpteridin-2-amine
SMILESCCC(C)Nc1nc(C)c2nc(C)c(C)nc2n1
InChIInChI=1S/C13H19N5/c1-6-7(2)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)
InChIKeyAGHAMPHGPWHRMC-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.56
Rot. Bonds3

About N-butan-2-yl-4,6,7-trimethylpteridin-2-amine

N-butan-2-yl-4,6,7-trimethylpteridin-2-amine (PubChem CID 171384297) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-butan-2-yl-4,6,7-trimethylpteridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4,6,7-trimethylpteridin-2-amine
PubChem CID171384297
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-butan-2-yl-4,6,7-trimethylpteridin-2-amine
SMILESCCC(C)Nc1nc(C)c2nc(C)c(C)nc2n1
InChIInChI=1S/C13H19N5/c1-6-7(2)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)
InChIKeyAGHAMPHGPWHRMC-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4,6,7-trimethylpteridin-2-amine?
The IUPAC name of N-butan-2-yl-4,6,7-trimethylpteridin-2-amine (CID 171384297) is N-butan-2-yl-4,6,7-trimethylpteridin-2-amine.
What is the SMILES notation for N-butan-2-yl-4,6,7-trimethylpteridin-2-amine?
The canonical SMILES for N-butan-2-yl-4,6,7-trimethylpteridin-2-amine is CCC(C)Nc1nc(C)c2nc(C)c(C)nc2n1.
What is the InChIKey of N-butan-2-yl-4,6,7-trimethylpteridin-2-amine?
The InChIKey is AGHAMPHGPWHRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-6-7(2)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 N-butan-2-yl-4,6,7-trimethylpteridin-2-amine?
N-butan-2-yl-4,6,7-trimethylpteridin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4,6,7-trimethylpteridin-2-amine is sourced from PubChem (CID 171384297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).