N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine

C16H21N5OS — CID 167972933

IUPACN-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESc1cc(NCC2CCN2C2CCOCC2)nc(-c2nccs2)n1
InChIInChI=1S/C16H21N5OS/c1-5-17-15(16-18-6-10-23-16)20-14(1)19-11-13-2-7-21(13)12-3-8-22-9-4-12/h1,5-6,10,12-13H,2-4,7-9,11H2,(H,17,19,20)
InChIKeyQSGOPSOSNDEIHM-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.27
Rot. Bonds5

About N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine

N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 167972933) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID167972933
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC NameN-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESc1cc(NCC2CCN2C2CCOCC2)nc(-c2nccs2)n1
InChIInChI=1S/C16H21N5OS/c1-5-17-15(16-18-6-10-23-16)20-14(1)19-11-13-2-7-21(13)12-3-8-22-9-4-12/h1,5-6,10,12-13H,2-4,7-9,11H2,(H,17,19,20)
InChIKeyQSGOPSOSNDEIHM-UHFFFAOYSA-N
XLogP2.27
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine (CID 167972933) is N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine is c1cc(NCC2CCN2C2CCOCC2)nc(-c2nccs2)n1.
What is the InChIKey of N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is QSGOPSOSNDEIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-5-17-15(16-18-6-10-23-16)20-14(1)19-11-13-2-7-21(13)12-3-8-22-9-4-12/h1,5-6,10,12-13H,2-4,7-9,11H2,(H,17,19,20).
What are the key properties of N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 331.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-2-(1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 167972933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).