5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine

C13H21N3O2 — CID 134700994

IUPAC5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cnc(N(C)CCC2CCCCO2)nc1
InChIInChI=1S/C13H21N3O2/c1-16(7-6-11-5-3-4-8-18-11)13-14-9-12(17-2)10-15-13/h9-11H,3-8H2,1-2H3
InChIKeyWZGPLDQFWCHBQS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.88
Rot. Bonds5

About 5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine

5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 134700994) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine
PubChem CID134700994
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cnc(N(C)CCC2CCCCO2)nc1
InChIInChI=1S/C13H21N3O2/c1-16(7-6-11-5-3-4-8-18-11)13-14-9-12(17-2)10-15-13/h9-11H,3-8H2,1-2H3
InChIKeyWZGPLDQFWCHBQS-UHFFFAOYSA-N
XLogP1.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrimidin-4-amine
CID 95147920
5-chloro-N-methyl-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine
CID 135114005
2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine
CID 91834866
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridin-2-amine
CID 26396539
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 115785484
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol
CID 115821691
3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 124523163
5-(3-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 45208625
1-[2-(dimethylamino)-4-[methyl-[2-(oxan-2-yl)ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56875461
N,5,7-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97189275
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341
N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576651

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine (CID 134700994) is 5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine is COc1cnc(N(C)CCC2CCCCO2)nc1.
What is the InChIKey of 5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is WZGPLDQFWCHBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(7-6-11-5-3-4-8-18-11)13-14-9-12(17-2)10-15-13/h9-11H,3-8H2,1-2H3.
What are the key properties of 5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine?
5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 134700994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).