4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine

C14H24ClN5 — CID 80796160

IUPAC4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H24ClN5/c1-5-16-13-17-10-11(15)12(18-13)19-6-8-20(9-7-19)14(2,3)4/h10H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyCSSHMUPVSWWEQC-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.48
Rot. Bonds3

About 4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine

4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine (PubChem CID 80796160) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
PubChem CID80796160
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H24ClN5/c1-5-16-13-17-10-11(15)12(18-13)19-6-8-20(9-7-19)14(2,3)4/h10H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyCSSHMUPVSWWEQC-UHFFFAOYSA-N
XLogP2.48
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836911
5-chloro-N-ethyl-4-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 80766486
4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80855498
5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-ethylpyrimidin-2-amine
CID 80831106
5-chloro-4-(2,6-dimethylmorpholin-4-yl)-N-ethylpyrimidin-2-amine
CID 80764781
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine
CID 80806982
5-bromo-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151
5-chloro-N-ethyl-4-(2-ethylazepan-1-yl)pyrimidin-2-amine
CID 104693085
5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80782441
4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80833659
5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
CID 80764655

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine (CID 80796160) is 4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine is CCNc1ncc(Cl)c(N2CCN(C(C)(C)C)CC2)n1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine?
The InChIKey is CSSHMUPVSWWEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5/c1-5-16-13-17-10-11(15)12(18-13)19-6-8-20(9-7-19)14(2,3)4/h10H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine?
4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine has a molecular weight of 297.83 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 80796160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).