5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

C10H14ClN3O2 — CID 80758184

IUPAC5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC2CCOC2)n1
InChIInChI=1S/C10H14ClN3O2/c1-15-10-13-5-8(11)9(14-10)12-4-7-2-3-16-6-7/h5,7H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyUOKMDEVGDRWFBD-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.59
Rot. Bonds4

About 5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 80758184) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID80758184
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC2CCOC2)n1
InChIInChI=1S/C10H14ClN3O2/c1-15-10-13-5-8(11)9(14-10)12-4-7-2-3-16-6-7/h5,7H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyUOKMDEVGDRWFBD-UHFFFAOYSA-N
XLogP1.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419339
5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80758368
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
CID 115733688
5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 114138477
5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine
CID 103837643
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methoxypyrimidin-4-amine
CID 103766956
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-chloro-2-methoxypyrimidin-4-amine
CID 80757942
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine
CID 115733628
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80752333
2-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 80758793
6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 63728364

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (CID 80758184) is 5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is COc1ncc(Cl)c(NCC2CCOC2)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is UOKMDEVGDRWFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-15-10-13-5-8(11)9(14-10)12-4-7-2-3-16-6-7/h5,7H,2-4,6H2,1H3,(H,12,13,14).
What are the key properties of 5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 243.69 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80758184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).