4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol

C14H22ClN3O2 — CID 81130653

IUPAC4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESCCCc1nc(Cl)c(C)c(NCC2(O)CCOCC2)n1
InChIInChI=1S/C14H22ClN3O2/c1-3-4-11-17-12(15)10(2)13(18-11)16-9-14(19)5-7-20-8-6-14/h19H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyXRUVICHCLBNQCR-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.34
Rot. Bonds5

About 4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol

4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol (PubChem CID 81130653) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol
PubChem CID81130653
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESCCCc1nc(Cl)c(C)c(NCC2(O)CCOCC2)n1
InChIInChI=1S/C14H22ClN3O2/c1-3-4-11-17-12(15)10(2)13(18-11)16-9-14(19)5-7-20-8-6-14/h19H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyXRUVICHCLBNQCR-UHFFFAOYSA-N
XLogP2.34
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol (CID 81130653) is 4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol is CCCc1nc(Cl)c(C)c(NCC2(O)CCOCC2)n1.
What is the InChIKey of 4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol?
The InChIKey is XRUVICHCLBNQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-3-4-11-17-12(15)10(2)13(18-11)16-9-14(19)5-7-20-8-6-14/h19H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol?
4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol has a molecular weight of 299.80 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81130653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).