1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine

C12H16N2 — CID 123161013

IUPAC1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine
SMILESCCC1=NC(C)C=C2C=C(C)C=CN21
InChIInChI=1S/C12H16N2/c1-4-12-13-10(3)8-11-7-9(2)5-6-14(11)12/h5-8,10H,4H2,1-3H3
InChIKeyXCJSWMXTBDYOKC-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.86
Rot. Bonds1

About 1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine

1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine (PubChem CID 123161013) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Name1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine
PubChem CID123161013
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine
SMILESCCC1=NC(C)C=C2C=C(C)C=CN21
InChIInChI=1S/C12H16N2/c1-4-12-13-10(3)8-11-7-9(2)5-6-14(11)12/h5-8,10H,4H2,1-3H3
InChIKeyXCJSWMXTBDYOKC-UHFFFAOYSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[3-[2-fluoroethyl(hexa-3,5-dien-3-yl)amino]-2-methylbuta-1,3-dienyl]-N,N-dimethylethanimidamide
CID 123669469
Ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746972
N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
N,N-diethyl-5-methyl-3H-azepin-2-amine
CID 12218538
N,N-diethyl-3,5,7-trimethyl-3H-azepin-2-amine
CID 12218545
N,N-diethyl-3,5-dimethyl-3H-azepin-2-amine
CID 85790494
2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
CID 134989134
7-butyl-4H-pyrido[1,2-a]pyrimidine
CID 20348005
2,3-Dimethyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 54479691
N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine
CID 57083440
3H-pyrido[2,1-b]quinazoline
CID 57137694
4,8-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium
CID 58666523

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine?
The IUPAC name of 1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine (CID 123161013) is 1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine.
What is the SMILES notation for 1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine?
The canonical SMILES for 1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine is CCC1=NC(C)C=C2C=C(C)C=CN21.
What is the InChIKey of 1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine?
The InChIKey is XCJSWMXTBDYOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-12-13-10(3)8-11-7-9(2)5-6-14(11)12/h5-8,10H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine?
1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine has a molecular weight of 188.27 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine is sourced from PubChem (CID 123161013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).