6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine

C12H18ClN3O — CID 55229705

IUPAC6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NCC1CCOC1
InChIInChI=1S/C12H18ClN3O/c1-8(2)10-11(13)15-7-16-12(10)14-5-9-3-4-17-6-9/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyQVQUFOWMYJGIOG-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.70
Rot. Bonds4

About 6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 55229705) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID55229705
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NCC1CCOC1
InChIInChI=1S/C12H18ClN3O/c1-8(2)10-11(13)15-7-16-12(10)14-5-9-3-4-17-6-9/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyQVQUFOWMYJGIOG-UHFFFAOYSA-N
XLogP2.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 63728364
6-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 106193279
5-fluoro-6-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103634945
2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64911092
6-chloro-5-propan-2-yl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80585875
4-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81130220
8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine
CID 94415325
6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 63729585
6-chloro-N-(2,2-dimethylbutyl)-5-propan-2-ylpyrimidin-4-amine
CID 103463567
N-but-2-ynyl-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 106195802
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80758184
6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102699925

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine (CID 55229705) is 6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(Cl)ncnc1NCC1CCOC1.
What is the InChIKey of 6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is QVQUFOWMYJGIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(2)10-11(13)15-7-16-12(10)14-5-9-3-4-17-6-9/h7-9H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 55229705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).