5-tert-butyl-6-chloropyrimidine-2,4-diamine

C8H13ClN4 — CID 87290149

IUPAC5-tert-butyl-6-chloropyrimidine-2,4-diamine
SMILESCC(C)(C)c1c(N)nc(N)nc1Cl
InChIInChI=1S/C8H13ClN4/c1-8(2,3)4-5(9)12-7(11)13-6(4)10/h1-3H3,(H4,10,11,12,13)
InChIKeyGOQHJUSGHPBJIK-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.59
Rot. Bonds

About 5-tert-butyl-6-chloropyrimidine-2,4-diamine

5-tert-butyl-6-chloropyrimidine-2,4-diamine (PubChem CID 87290149) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-tert-butyl-6-chloropyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-tert-butyl-6-chloropyrimidine-2,4-diamine
PubChem CID87290149
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name5-tert-butyl-6-chloropyrimidine-2,4-diamine
SMILESCC(C)(C)c1c(N)nc(N)nc1Cl
InChIInChI=1S/C8H13ClN4/c1-8(2,3)4-5(9)12-7(11)13-6(4)10/h1-3H3,(H4,10,11,12,13)
InChIKeyGOQHJUSGHPBJIK-UHFFFAOYSA-N
XLogP1.59
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-chloropyrimidine-2,4-diamine?
The IUPAC name of 5-tert-butyl-6-chloropyrimidine-2,4-diamine (CID 87290149) is 5-tert-butyl-6-chloropyrimidine-2,4-diamine.
What is the SMILES notation for 5-tert-butyl-6-chloropyrimidine-2,4-diamine?
The canonical SMILES for 5-tert-butyl-6-chloropyrimidine-2,4-diamine is CC(C)(C)c1c(N)nc(N)nc1Cl.
What is the InChIKey of 5-tert-butyl-6-chloropyrimidine-2,4-diamine?
The InChIKey is GOQHJUSGHPBJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c1-8(2,3)4-5(9)12-7(11)13-6(4)10/h1-3H3,(H4,10,11,12,13).
What are the key properties of 5-tert-butyl-6-chloropyrimidine-2,4-diamine?
5-tert-butyl-6-chloropyrimidine-2,4-diamine has a molecular weight of 200.67 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-chloropyrimidine-2,4-diamine is sourced from PubChem (CID 87290149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).