2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C13H22N4O — CID 106472353

IUPAC2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CCN(C)C)nc2c1COCC2
InChIInChI=1S/C13H22N4O/c1-4-14-13-10-9-18-8-6-11(10)15-12(16-13)5-7-17(2)3/h4-9H2,1-3H3,(H,14,15,16)
InChIKeyLHEBQJWSWMKYLU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.09
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472353) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472353
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CCN(C)C)nc2c1COCC2
InChIInChI=1S/C13H22N4O/c1-4-14-13-10-9-18-8-6-11(10)15-12(16-13)5-7-17(2)3/h4-9H2,1-3H3,(H,14,15,16)
InChIKeyLHEBQJWSWMKYLU-UHFFFAOYSA-N
XLogP1.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-diethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472434
2-[2-(dimethylamino)ethyl]-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115347019
(2-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)hydrazine
CID 106473388
N-ethyl-2-(2-methoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472447
N-ethyl-2-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472394
N-ethyl-2-(2-methoxypropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472464
2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472397
N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472694
2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472621
N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472404
N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472396
2-(3-bromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472733

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472353) is 2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCNc1nc(CCN(C)C)nc2c1COCC2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is LHEBQJWSWMKYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-14-13-10-9-18-8-6-11(10)15-12(16-13)5-7-17(2)3/h4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).