4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine

C14H23ClN4 — CID 155222929

IUPAC4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCC(C)(C)NC1CCC(Nc2ncc(Cl)cn2)CC1
InChIInChI=1S/C14H23ClN4/c1-14(2,3)19-12-6-4-11(5-7-12)18-13-16-8-10(15)9-17-13/h8-9,11-12,19H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyOEXIWDVZYQCTNX-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.24
Rot. Bonds3

About 4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine

4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine (PubChem CID 155222929) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine
PubChem CID155222929
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCC(C)(C)NC1CCC(Nc2ncc(Cl)cn2)CC1
InChIInChI=1S/C14H23ClN4/c1-14(2,3)19-12-6-4-11(5-7-12)18-13-16-8-10(15)9-17-13/h8-9,11-12,19H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyOEXIWDVZYQCTNX-UHFFFAOYSA-N
XLogP3.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine (CID 155222929) is 4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine is CC(C)(C)NC1CCC(Nc2ncc(Cl)cn2)CC1.
What is the InChIKey of 4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine?
The InChIKey is OEXIWDVZYQCTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-14(2,3)19-12-6-4-11(5-7-12)18-13-16-8-10(15)9-17-13/h8-9,11-12,19H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine?
4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine has a molecular weight of 282.82 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 155222929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).