1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol

C16H23N5OS — CID 50977518

IUPAC1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol
SMILESCCCc1nc(CNc2nccc(N3CCC(O)CC3)n2)cs1
InChIInChI=1S/C16H23N5OS/c1-2-3-15-19-12(11-23-15)10-18-16-17-7-4-14(20-16)21-8-5-13(22)6-9-21/h4,7,11,13,22H,2-3,5-6,8-10H2,1H3,(H,17,18,20)
InChIKeySSXDCAMBAIDHTJ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.46
Rot. Bonds6

About 1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol

1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 50977518) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID50977518
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol
SMILESCCCc1nc(CNc2nccc(N3CCC(O)CC3)n2)cs1
InChIInChI=1S/C16H23N5OS/c1-2-3-15-19-12(11-23-15)10-18-16-17-7-4-14(20-16)21-8-5-13(22)6-9-21/h4,7,11,13,22H,2-3,5-6,8-10H2,1H3,(H,17,18,20)
InChIKeySSXDCAMBAIDHTJ-UHFFFAOYSA-N
XLogP2.46
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol (CID 50977518) is 1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol is CCCc1nc(CNc2nccc(N3CCC(O)CC3)n2)cs1.
What is the InChIKey of 1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is SSXDCAMBAIDHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-2-3-15-19-12(11-23-15)10-18-16-17-7-4-14(20-16)21-8-5-13(22)6-9-21/h4,7,11,13,22H,2-3,5-6,8-10H2,1H3,(H,17,18,20).
What are the key properties of 1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol?
1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 333.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 50977518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).