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

C14H21N3O2 — CID 106472619

IUPAC2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCO2)nc2c1COCC2
InChIInChI=1S/C14H21N3O2/c1-2-6-15-13-10-9-18-8-5-11(10)16-14(17-13)12-4-3-7-19-12/h12H,2-9H2,1H3,(H,15,16,17)
InChIKeyBMBAIZPWGROKSX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.22
Rot. Bonds4

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

2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472619) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472619
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCO2)nc2c1COCC2
InChIInChI=1S/C14H21N3O2/c1-2-6-15-13-10-9-18-8-5-11(10)16-14(17-13)12-4-3-7-19-12/h12H,2-9H2,1H3,(H,15,16,17)
InChIKeyBMBAIZPWGROKSX-UHFFFAOYSA-N
XLogP2.22
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 65328554
2-(3-methylcyclopentyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472620
2-N,2-N-diethyl-4-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine-2,4-diamine
CID 106472565
2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472557
2-(ethoxymethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472621
2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 82840279
2-(1-methylsulfonylethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472555
N-propyl-2-(propylsulfanylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472513
N-propyl-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472650
2-(4-methylpiperazin-1-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472509
2-cycloheptyl-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 65399990
2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486512

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472619) is 2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCCNc1nc(C2CCCO2)nc2c1COCC2.
What is the InChIKey of 2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is BMBAIZPWGROKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-6-15-13-10-9-18-8-5-11(10)16-14(17-13)12-4-3-7-19-12/h12H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).