6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine

C13H16ClN3O2 — CID 95787437

IUPAC6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine
SMILESCOC[C@H](Nc1cc(Cl)nc(C)n1)c1ccc(C)o1
InChIInChI=1S/C13H16ClN3O2/c1-8-4-5-11(19-8)10(7-18-3)17-13-6-12(14)15-9(2)16-13/h4-6,10H,7H2,1-3H3,(H,15,16,17)/t10-/m0/s1
InChIKeyIOBPERUSDMIVLQ-JTQLQIEISA-N
MW281.74 g/mol
LogP3.14
Rot. Bonds5

About 6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine

6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 95787437) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID95787437
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine
SMILESCOC[C@H](Nc1cc(Cl)nc(C)n1)c1ccc(C)o1
InChIInChI=1S/C13H16ClN3O2/c1-8-4-5-11(19-8)10(7-18-3)17-13-6-12(14)15-9(2)16-13/h4-6,10H,7H2,1-3H3,(H,15,16,17)/t10-/m0/s1
InChIKeyIOBPERUSDMIVLQ-JTQLQIEISA-N
XLogP3.14
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine with MolForge

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Related Compounds

N-[6-((S)-2-Methoxymethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 25208255
N-[6-((R)-2-Methoxymethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 25209991
6-[2-[[(5-chlorofuran-2-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 72043841
4-Chloro-N-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-amine
CID 86066724
N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732345
4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 102556284
6-chloro-N-(4,4-difluorocyclohexyl)-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 139300423
6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine
CID 139300555
6-chloro-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 305494
6-Methyl-2-[(furan-2-yl)methyl]amino-4-chloro-pyrimidine
CID 129771317
2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 79080425
2-chloro-5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 79081354

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine (CID 95787437) is 6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine is COC[C@H](Nc1cc(Cl)nc(C)n1)c1ccc(C)o1.
What is the InChIKey of 6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is IOBPERUSDMIVLQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-8-4-5-11(19-8)10(7-18-3)17-13-6-12(14)15-9(2)16-13/h4-6,10H,7H2,1-3H3,(H,15,16,17)/t10-/m0/s1.
What are the key properties of 6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine?
6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 281.74 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 95787437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).