2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine

C11H18N4O2 — CID 83842774

IUPAC2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine
SMILESCOc1nc(NC(C)CN)nc2c1COCC2
InChIInChI=1S/C11H18N4O2/c1-7(5-12)13-11-14-9-3-4-17-6-8(9)10(15-11)16-2/h7H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyRCOGXGAEACTKEW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.32
Rot. Bonds4

About 2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine

2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine (PubChem CID 83842774) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine
PubChem CID83842774
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine
SMILESCOc1nc(NC(C)CN)nc2c1COCC2
InChIInChI=1S/C11H18N4O2/c1-7(5-12)13-11-14-9-3-4-17-6-8(9)10(15-11)16-2/h7H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyRCOGXGAEACTKEW-UHFFFAOYSA-N
XLogP0.32
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine with MolForge

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Related Compounds

2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine
CID 83835368
N'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine
CID 83839420
2-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)ethanamine
CID 105462878
4-methoxy-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine
CID 105448888
2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 172576454
2-chloro-4-methoxy-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
CID 105468148
2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine
CID 63732356
3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine
CID 105499150
N-ethyl-2-(2-methoxypropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472464
2-(2-methoxyethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471922
[2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473586
1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine
CID 83838851

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine (CID 83842774) is 2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine is COc1nc(NC(C)CN)nc2c1COCC2.
What is the InChIKey of 2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine?
The InChIKey is RCOGXGAEACTKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(5-12)13-11-14-9-3-4-17-6-8(9)10(15-11)16-2/h7H,3-6,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine?
2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine has a molecular weight of 238.29 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 83842774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).