N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine

C13H21N3O2 — CID 133455194

IUPACN-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1nccnc1N(C)CC1CCOC1
InChIInChI=1S/C13H21N3O2/c1-10(2)18-13-12(14-5-6-15-13)16(3)8-11-4-7-17-9-11/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyOTPKJCHZNNAVSU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.74
Rot. Bonds5

About N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine

N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine (PubChem CID 133455194) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine
PubChem CID133455194
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1nccnc1N(C)CC1CCOC1
InChIInChI=1S/C13H21N3O2/c1-10(2)18-13-12(14-5-6-15-13)16(3)8-11-4-7-17-9-11/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyOTPKJCHZNNAVSU-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549
4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine
CID 99703962
N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine
CID 130899262
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 63727442
2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 71862352
2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
CID 71922518
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
CID 97044604
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 75511399
4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol
CID 133455026
N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455197
3-amino-2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile
CID 82812956
2-N,4-N-dimethyl-2-N-(oxan-3-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818463

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine (CID 133455194) is N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine is CC(C)Oc1nccnc1N(C)CC1CCOC1.
What is the InChIKey of N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine?
The InChIKey is OTPKJCHZNNAVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)18-13-12(14-5-6-15-13)16(3)8-11-4-7-17-9-11/h5-6,10-11H,4,7-9H2,1-3H3.
What are the key properties of N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine?
N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 133455194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).