6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C13H19F2N3O — CID 172576491

IUPAC6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc2c(c(OC(C)C)n1)CN(CC(F)F)CC2
InChIInChI=1S/C13H19F2N3O/c1-8(2)19-13-10-6-18(7-12(14)15)5-4-11(10)16-9(3)17-13/h8,12H,4-7H2,1-3H3
InChIKeyCKYUKAMVGCKSAD-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.20
Rot. Bonds4

About 6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 172576491) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID172576491
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc2c(c(OC(C)C)n1)CN(CC(F)F)CC2
InChIInChI=1S/C13H19F2N3O/c1-8(2)19-13-10-6-18(7-12(14)15)5-4-11(10)16-9(3)17-13/h8,12H,4-7H2,1-3H3
InChIKeyCKYUKAMVGCKSAD-UHFFFAOYSA-N
XLogP2.20
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

4-ethoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50988019
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 22943724
2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 102386112
2,4-Di-t-butyl-6,7-dihydro-5h-pyrano[2,3-d]pyrimidine
CID 129708459
4-ethoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53538543
2-Cyclopropyl-7-methyl-4-(3,3,3-trifluoropropoxy)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 11709448
4-(Difluoromethoxy)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117678140
6-(5-cyclopropyl-2-methyl-3,4-dihydropyrazol-3-yl)-4-(2,2-difluoroethoxy)-2-(3,5-dimethyl-4H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 117703232
2-[2-Cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
CID 143219149
2-ethyl-4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219183
2-[2-Cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
CID 143219206
4-(2,2-difluoroethoxy)-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219216

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 172576491) is 6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nc2c(c(OC(C)C)n1)CN(CC(F)F)CC2.
What is the InChIKey of 6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is CKYUKAMVGCKSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-8(2)19-13-10-6-18(7-12(14)15)5-4-11(10)16-9(3)17-13/h8,12H,4-7H2,1-3H3.
What are the key properties of 6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 271.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 172576491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).