N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine

C10H16ClN3 — CID 63735248

IUPACN-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC(C)(C)C)n1
InChIInChI=1S/C10H16ClN3/c1-6-8(11)12-7(2)13-9(6)14-10(3,4)5/h1-5H3,(H,12,13,14)
InChIKeyKVISFUWVSBRFBC-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.96
Rot. Bonds1

About N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine

N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine (PubChem CID 63735248) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine
PubChem CID63735248
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC(C)(C)C)n1
InChIInChI=1S/C10H16ClN3/c1-6-8(11)12-7(2)13-9(6)14-10(3,4)5/h1-5H3,(H,12,13,14)
InChIKeyKVISFUWVSBRFBC-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine (CID 63735248) is N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine?
The InChIKey is KVISFUWVSBRFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-6-8(11)12-7(2)13-9(6)14-10(3,4)5/h1-5H3,(H,12,13,14).
What are the key properties of N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine?
N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine has a molecular weight of 213.71 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63735248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).