N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine

C16H27N3O — CID 134707902

IUPACN-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
SMILESCCCc1cnc(C)nc1N(CC)CC1CCCCO1
InChIInChI=1S/C16H27N3O/c1-4-8-14-11-17-13(3)18-16(14)19(5-2)12-15-9-6-7-10-20-15/h11,15H,4-10,12H2,1-3H3
InChIKeyMLDOHDHIGXGUHN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.13
Rot. Bonds6

About N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine

N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine (PubChem CID 134707902) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
PubChem CID134707902
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
SMILESCCCc1cnc(C)nc1N(CC)CC1CCCCO1
InChIInChI=1S/C16H27N3O/c1-4-8-14-11-17-13(3)18-16(14)19(5-2)12-15-9-6-7-10-20-15/h11,15H,4-10,12H2,1-3H3
InChIKeyMLDOHDHIGXGUHN-UHFFFAOYSA-N
XLogP3.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 79075350
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 114216694
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282729
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728
N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 126427586
4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80800047
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099
3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 114836813
2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 50980746
6-(2-aminoethyl)-N-ethyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 95207222
N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80947627
6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80971304

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine (CID 134707902) is N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine is CCCc1cnc(C)nc1N(CC)CC1CCCCO1.
What is the InChIKey of N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine?
The InChIKey is MLDOHDHIGXGUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-8-14-11-17-13(3)18-16(14)19(5-2)12-15-9-6-7-10-20-15/h11,15H,4-10,12H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine?
N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 134707902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).