2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C12H19N3O — CID 172576457

IUPAC2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1nc2c(c(OC(C)C)n1)CCN(C)C2
InChIInChI=1S/C12H19N3O/c1-8(2)16-12-10-5-6-15(4)7-11(10)13-9(3)14-12/h8H,5-7H2,1-4H3
InChIKeyHTINRWFMXLIYCE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.56
Rot. Bonds2

About 2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 172576457) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID172576457
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1nc2c(c(OC(C)C)n1)CCN(C)C2
InChIInChI=1S/C12H19N3O/c1-8(2)16-12-10-5-6-15(4)7-11(10)13-9(3)14-12/h8H,5-7H2,1-4H3
InChIKeyHTINRWFMXLIYCE-UHFFFAOYSA-N
XLogP1.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 91352697
2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 172576454
N,2,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 83862578
2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 172576456
2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 88883283
2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid
CID 83842195
(2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine
CID 83862863
2-chloro-4-propan-2-yloxy-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 172576480
2,6-dimethyl-4-nitroso-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 134410807
2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 82192182
1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 174310418
4-[(1S)-1-aminoethyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 83859124

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 172576457) is 2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1nc2c(c(OC(C)C)n1)CCN(C)C2.
What is the InChIKey of 2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is HTINRWFMXLIYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)16-12-10-5-6-15(4)7-11(10)13-9(3)14-12/h8H,5-7H2,1-4H3.
What are the key properties of 2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 221.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 172576457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).