N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine

C12H16ClN5 — CID 82459623

IUPACN-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine
SMILESCc1nc2nc(Cl)nc(NC(C)(C)C)c2nc1C
InChIInChI=1S/C12H16ClN5/c1-6-7(2)15-9-8(14-6)10(17-11(13)16-9)18-12(3,4)5/h1-5H3,(H,15,16,17,18)
InChIKeyLEVPUANNBTUGQH-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.90
Rot. Bonds1

About N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine

N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine (PubChem CID 82459623) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine
PubChem CID82459623
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC NameN-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine
SMILESCc1nc2nc(Cl)nc(NC(C)(C)C)c2nc1C
InChIInChI=1S/C12H16ClN5/c1-6-7(2)15-9-8(14-6)10(17-11(13)16-9)18-12(3,4)5/h1-5H3,(H,15,16,17,18)
InChIKeyLEVPUANNBTUGQH-UHFFFAOYSA-N
XLogP2.90
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine?
The IUPAC name of N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine (CID 82459623) is N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine.
What is the SMILES notation for N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine?
The canonical SMILES for N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine is Cc1nc2nc(Cl)nc(NC(C)(C)C)c2nc1C.
What is the InChIKey of N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine?
The InChIKey is LEVPUANNBTUGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-6-7(2)15-9-8(14-6)10(17-11(13)16-9)18-12(3,4)5/h1-5H3,(H,15,16,17,18).
What are the key properties of N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine?
N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine has a molecular weight of 265.75 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine is sourced from PubChem (CID 82459623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).