2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C11H16N2O2 — CID 172576454

IUPAC2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCc1nc2c(c(OC(C)C)n1)COCC2
InChIInChI=1S/C11H16N2O2/c1-7(2)15-11-9-6-14-5-4-10(9)12-8(3)13-11/h7H,4-6H2,1-3H3
InChIKeyPSYPHZMHHHUAQE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.64
Rot. Bonds2

About 2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 172576454) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID172576454
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCc1nc2c(c(OC(C)C)n1)COCC2
InChIInChI=1S/C11H16N2O2/c1-7(2)15-11-9-6-14-5-4-10(9)12-8(3)13-11/h7H,4-6H2,1-3H3
InChIKeyPSYPHZMHHHUAQE-UHFFFAOYSA-N
XLogP1.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 172576457
N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine
CID 83847331
1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine
CID 83838851
2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 172576456
2-N-(4-methoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propane-1,2-diamine
CID 83842774
4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one
CID 105432959
2-chloro-4-propan-2-yloxy-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 172576480
N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472261
2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 158425326
2-(4-propan-2-ylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696365
2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 137060794
3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 70661479

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 172576454) is 2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Cc1nc2c(c(OC(C)C)n1)COCC2.
What is the InChIKey of 2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is PSYPHZMHHHUAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)15-11-9-6-14-5-4-10(9)12-8(3)13-11/h7H,4-6H2,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 208.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 172576454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).