N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine

C12H20ClN3O — CID 80664465

IUPACN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(Cc1nc(C)cc(Cl)n1)C(C)COC
InChIInChI=1S/C12H20ClN3O/c1-5-16(10(3)8-17-4)7-12-14-9(2)6-11(13)15-12/h6,10H,5,7-8H2,1-4H3
InChIKeyIHKOCQYHBCJPMV-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.30
Rot. Bonds6

About N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine (PubChem CID 80664465) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
PubChem CID80664465
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(Cc1nc(C)cc(Cl)n1)C(C)COC
InChIInChI=1S/C12H20ClN3O/c1-5-16(10(3)8-17-4)7-12-14-9(2)6-11(13)15-12/h6,10H,5,7-8H2,1-4H3
InChIKeyIHKOCQYHBCJPMV-UHFFFAOYSA-N
XLogP2.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine?
The IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine (CID 80664465) is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine?
The canonical SMILES for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine is CCN(Cc1nc(C)cc(Cl)n1)C(C)COC.
What is the InChIKey of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine?
The InChIKey is IHKOCQYHBCJPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-5-16(10(3)8-17-4)7-12-14-9(2)6-11(13)15-12/h6,10H,5,7-8H2,1-4H3.
What are the key properties of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine?
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine has a molecular weight of 257.76 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine is sourced from PubChem (CID 80664465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).