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

C15H21N5O — CID 106472711

IUPACN-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCn1cncc1-c1nc2c(c(NCC)n1)COCC2
InChIInChI=1S/C15H21N5O/c1-3-6-20-10-16-8-13(20)15-18-12-5-7-21-9-11(12)14(19-15)17-4-2/h8,10H,3-7,9H2,1-2H3,(H,17,18,19)
InChIKeyCCJKCBGXJOWYCD-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.25
Rot. Bonds5

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

N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472711) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472711
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCn1cncc1-c1nc2c(c(NCC)n1)COCC2
InChIInChI=1S/C15H21N5O/c1-3-6-20-10-16-8-13(20)15-18-12-5-7-21-9-11(12)14(19-15)17-4-2/h8,10H,3-7,9H2,1-2H3,(H,17,18,19)
InChIKeyCCJKCBGXJOWYCD-UHFFFAOYSA-N
XLogP2.25
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-(3-ethylimidazol-4-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472648
N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472494
N-ethyl-2-(3-methylimidazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 66116420
2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472372
N,2-diethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472434
2-(5-chloro-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472466
2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472685
2-(2-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472339
2-(3,4-dimethylphenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472702
N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472694
2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472412
2-(1,5-dimethylpyrazol-4-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472668

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472711) is N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCCn1cncc1-c1nc2c(c(NCC)n1)COCC2.
What is the InChIKey of N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is CCJKCBGXJOWYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-6-20-10-16-8-13(20)15-18-12-5-7-21-9-11(12)14(19-15)17-4-2/h8,10H,3-7,9H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-propylimidazol-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).