3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol

C13H20ClN3O2 — CID 106102696

IUPAC3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESCc1c(Cl)nc(C(C)C)nc1NCC1(O)CCOC1
InChIInChI=1S/C13H20ClN3O2/c1-8(2)11-16-10(14)9(3)12(17-11)15-6-13(18)4-5-19-7-13/h8,18H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyPAMBCRBPZNLSOY-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.13
Rot. Bonds4

About 3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol

3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 106102696) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
PubChem CID106102696
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESCc1c(Cl)nc(C(C)C)nc1NCC1(O)CCOC1
InChIInChI=1S/C13H20ClN3O2/c1-8(2)11-16-10(14)9(3)12(17-11)15-6-13(18)4-5-19-7-13/h8,18H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyPAMBCRBPZNLSOY-UHFFFAOYSA-N
XLogP2.13
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

4-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81135118
4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81130653
6-chloro-5-methyl-N-(4-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 113491272
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103244
3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102101
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102670
6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970999
6-chloro-5-methyl-N-(2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-amine
CID 106196742
3-[[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 114143702
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol
CID 104925043

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol (CID 106102696) is 3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol is Cc1c(Cl)nc(C(C)C)nc1NCC1(O)CCOC1.
What is the InChIKey of 3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is PAMBCRBPZNLSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8(2)11-16-10(14)9(3)12(17-11)15-6-13(18)4-5-19-7-13/h8,18H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 285.77 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106102696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).