1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

C12H20ClN3O3 — CID 113400905

IUPAC1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCCOCc1nc(Cl)cc(N(C)CC(O)COC)n1
InChIInChI=1S/C12H20ClN3O3/c1-4-19-8-11-14-10(13)5-12(15-11)16(2)6-9(17)7-18-3/h5,9,17H,4,6-8H2,1-3H3
InChIKeyBLBBTXYRGUOESB-UHFFFAOYSA-N
MW289.76 g/mol
LogP1.11
Rot. Bonds8

About 1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 113400905) has the molecular formula C12H20ClN3O3 and a molecular weight of 289.76 g/mol. Its IUPAC name is 1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
PubChem CID113400905
Molecular FormulaC12H20ClN3O3
Molecular Weight289.76 g/mol
Exact Mass289.12
IUPAC Name1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCCOCc1nc(Cl)cc(N(C)CC(O)COC)n1
InChIInChI=1S/C12H20ClN3O3/c1-4-19-8-11-14-10(13)5-12(15-11)16(2)6-9(17)7-18-3/h5,9,17H,4,6-8H2,1-3H3
InChIKeyBLBBTXYRGUOESB-UHFFFAOYSA-N
XLogP1.11
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 102715710
2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid
CID 54998875
2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107482130
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 80954748
6-chloro-N-cyclohexyl-2-(ethoxymethyl)-N-methylpyrimidin-4-amine
CID 113400782
1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80811552
2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol
CID 113400870
2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114211195
1-methoxy-3-[methyl-(4-methylquinolin-2-yl)amino]propan-2-ol
CID 71996713
2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
CID 103112929
1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 64828925
1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80711299

Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (CID 113400905) is 1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is CCOCc1nc(Cl)cc(N(C)CC(O)COC)n1.
What is the InChIKey of 1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is BLBBTXYRGUOESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O3/c1-4-19-8-11-14-10(13)5-12(15-11)16(2)6-9(17)7-18-3/h5,9,17H,4,6-8H2,1-3H3.
What are the key properties of 1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 289.76 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 113400905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).