5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine

C14H20N6S — CID 80757343

IUPAC5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H20N6S/c1-10(2)11-12(15)17-9-18-13(11)19-4-6-20(7-5-19)14-16-3-8-21-14/h3,8-10H,4-7H2,1-2H3,(H2,15,17,18)
InChIKeySEGXTIIVOUIFSC-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.97
Rot. Bonds3

About 5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine

5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 80757343) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID80757343
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H20N6S/c1-10(2)11-12(15)17-9-18-13(11)19-4-6-20(7-5-19)14-16-3-8-21-14/h3,8-10H,4-7H2,1-2H3,(H2,15,17,18)
InChIKeySEGXTIIVOUIFSC-UHFFFAOYSA-N
XLogP1.97
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80754526
5-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80793564
6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80834520
4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 75434688
2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80976129
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114683982
2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 24708603
(1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 63368236
2-(4-methylidenepiperidin-1-yl)-1,3-thiazole
CID 55250932

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine (CID 80757343) is 5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine is CC(C)c1c(N)ncnc1N1CCN(c2nccs2)CC1.
What is the InChIKey of 5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is SEGXTIIVOUIFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-10(2)11-12(15)17-9-18-13(11)19-4-6-20(7-5-19)14-16-3-8-21-14/h3,8-10H,4-7H2,1-2H3,(H2,15,17,18).
What are the key properties of 5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine?
5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 304.42 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80757343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).