6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine

C14H22ClN3 — CID 138653789

IUPAC6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine
SMILESCCC/C=C(C)/N=c1\cc(Cl)nc(CCC)n1C
InChIInChI=1S/C14H22ClN3/c1-5-7-9-11(3)16-14-10-12(15)17-13(8-6-2)18(14)4/h9-10H,5-8H2,1-4H3/b11-9+,16-14+
InChIKeyCSEQWCJEUPMXGR-RHYUXORRSA-N
MW267.80 g/mol
LogP3.63
Rot. Bonds5

About 6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine

6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine (PubChem CID 138653789) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine.

Molecular Properties

Compound Name6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine
PubChem CID138653789
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine
SMILESCCC/C=C(C)/N=c1\cc(Cl)nc(CCC)n1C
InChIInChI=1S/C14H22ClN3/c1-5-7-9-11(3)16-14-10-12(15)17-13(8-6-2)18(14)4/h9-10H,5-8H2,1-4H3/b11-9+,16-14+
InChIKeyCSEQWCJEUPMXGR-RHYUXORRSA-N
XLogP3.63
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine?
The IUPAC name of 6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine (CID 138653789) is 6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine.
What is the SMILES notation for 6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine?
The canonical SMILES for 6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine is CCC/C=C(C)/N=c1\cc(Cl)nc(CCC)n1C.
What is the InChIKey of 6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine?
The InChIKey is CSEQWCJEUPMXGR-RHYUXORRSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-5-7-9-11(3)16-14-10-12(15)17-13(8-6-2)18(14)4/h9-10H,5-8H2,1-4H3/b11-9+,16-14+.
What are the key properties of 6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine?
6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine has a molecular weight of 267.80 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(E)-hex-2-en-2-yl]-3-methyl-2-propylpyrimidin-4-imine is sourced from PubChem (CID 138653789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).