3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine

C10H15N3O — CID 82401884

IUPAC3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine
SMILESNCCCc1ncnc2c1COCC2
InChIInChI=1S/C10H15N3O/c11-4-1-2-9-8-6-14-5-3-10(8)13-7-12-9/h7H,1-6,11H2
InChIKeyOEPRRXXIZJIGPZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.44
Rot. Bonds3

About 3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine

3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine (PubChem CID 82401884) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine
PubChem CID82401884
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine
SMILESNCCCc1ncnc2c1COCC2
InChIInChI=1S/C10H15N3O/c11-4-1-2-9-8-6-14-5-3-10(8)13-7-12-9/h7H,1-6,11H2
InChIKeyOEPRRXXIZJIGPZ-UHFFFAOYSA-N
XLogP0.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one
CID 83859055
2-(3-aminopropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 105461903
4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 83849391
N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472169
N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472396
(1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine
CID 83859046
3-(4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)propan-1-amine
CID 105460666
2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine
CID 83914930
2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
CID 105479388
4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 59634433
N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 166365675
N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 167974744

Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine?
The IUPAC name of 3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine (CID 82401884) is 3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine.
What is the SMILES notation for 3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine?
The canonical SMILES for 3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine is NCCCc1ncnc2c1COCC2.
What is the InChIKey of 3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine?
The InChIKey is OEPRRXXIZJIGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-4-1-2-9-8-6-14-5-3-10(8)13-7-12-9/h7H,1-6,11H2.
What are the key properties of 3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine?
3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine has a molecular weight of 193.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine is sourced from PubChem (CID 82401884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).