N-tert-butyl-6-chloro-5-methylpyrimidin-4-amine

C9H14ClN3 — CID 18334767

IUPACN-tert-butyl-6-chloro-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC(C)(C)C
InChIInChI=1S/C9H14ClN3/c1-6-7(10)11-5-12-8(6)13-9(2,3)4/h5H,1-4H3,(H,11,12,13)
InChIKeyNWGVAGCOCFJXSI-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.65
Rot. Bonds1

About N-tert-butyl-6-chloro-5-methylpyrimidin-4-amine

N-tert-butyl-6-chloro-5-methylpyrimidin-4-amine (PubChem CID 18334767) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-tert-butyl-6-chloro-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-chloro-5-methylpyrimidin-4-amine
PubChem CID18334767
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-tert-butyl-6-chloro-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC(C)(C)C
InChIInChI=1S/C9H14ClN3/c1-6-7(10)11-5-12-8(6)13-9(2,3)4/h5H,1-4H3,(H,11,12,13)
InChIKeyNWGVAGCOCFJXSI-UHFFFAOYSA-N
XLogP2.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.65
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-5-methylpyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-chloro-5-methylpyrimidin-4-amine (CID 18334767) is N-tert-butyl-6-chloro-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-chloro-5-methylpyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-chloro-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-6-chloro-5-methylpyrimidin-4-amine?
The InChIKey is NWGVAGCOCFJXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-6-7(10)11-5-12-8(6)13-9(2,3)4/h5H,1-4H3,(H,11,12,13).
What are the key properties of N-tert-butyl-6-chloro-5-methylpyrimidin-4-amine?
N-tert-butyl-6-chloro-5-methylpyrimidin-4-amine has a molecular weight of 199.69 g/mol, XLogP of 2.65, 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-5-methylpyrimidin-4-amine is sourced from PubChem (CID 18334767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).