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

C15H20N6OS — CID 74240734

IUPAC[2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCC(C)Nc1ncc(C(=O)N2CCN(c3nccs3)CC2)cn1
InChIInChI=1S/C15H20N6OS/c1-11(2)19-14-17-9-12(10-18-14)13(22)20-4-6-21(7-5-20)15-16-3-8-23-15/h3,8-11H,4-7H2,1-2H3,(H,17,18,19)
InChIKeyGYHIEBSWIIGDAB-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.72
Rot. Bonds4

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

[2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 74240734) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is [2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID74240734
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name[2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCC(C)Nc1ncc(C(=O)N2CCN(c3nccs3)CC2)cn1
InChIInChI=1S/C15H20N6OS/c1-11(2)19-14-17-9-12(10-18-14)13(22)20-4-6-21(7-5-20)15-16-3-8-23-15/h3,8-11H,4-7H2,1-2H3,(H,17,18,19)
InChIKeyGYHIEBSWIIGDAB-UHFFFAOYSA-N
XLogP1.72
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 74240734) is [2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is CC(C)Nc1ncc(C(=O)N2CCN(c3nccs3)CC2)cn1.
What is the InChIKey of [2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is GYHIEBSWIIGDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-11(2)19-14-17-9-12(10-18-14)13(22)20-4-6-21(7-5-20)15-16-3-8-23-15/h3,8-11H,4-7H2,1-2H3,(H,17,18,19).
What are the key properties of [2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 332.43 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propan-2-ylamino)pyrimidin-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 74240734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).