3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

C13H20ClN3O — CID 80945445

IUPAC3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCCCc1nc(Cl)cc(N(C)CC2CC(O)C2)n1
InChIInChI=1S/C13H20ClN3O/c1-3-4-12-15-11(14)7-13(16-12)17(2)8-9-5-10(18)6-9/h7,9-10,18H,3-6,8H2,1-2H3
InChIKeyXGOZWICHXMPCKF-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.29
Rot. Bonds5

About 3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 80945445) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID80945445
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCCCc1nc(Cl)cc(N(C)CC2CC(O)C2)n1
InChIInChI=1S/C13H20ClN3O/c1-3-4-12-15-11(14)7-13(16-12)17(2)8-9-5-10(18)6-9/h7,9-10,18H,3-6,8H2,1-2H3
InChIKeyXGOZWICHXMPCKF-UHFFFAOYSA-N
XLogP2.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80949667
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80939229
3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80943445
6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938173
6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80936193
3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80855794
2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80938390
6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80940885
2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136989602
N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 80939645
6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80939812
2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80939213

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (CID 80945445) is 3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is CCCc1nc(Cl)cc(N(C)CC2CC(O)C2)n1.
What is the InChIKey of 3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is XGOZWICHXMPCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-4-12-15-11(14)7-13(16-12)17(2)8-9-5-10(18)6-9/h7,9-10,18H,3-6,8H2,1-2H3.
What are the key properties of 3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 269.78 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80945445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).