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

C14H21F2N3 — CID 177012131

IUPAC6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(C(C)C)n1)CN(CC(F)F)CC2
InChIInChI=1S/C14H21F2N3/c1-4-13-17-11-5-6-19(8-12(15)16)7-10(11)14(18-13)9(2)3/h9,12H,4-8H2,1-3H3
InChIKeyVHXLGQPVOGRQNL-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.79
Rot. Bonds4

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

6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 177012131) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID177012131
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(C(C)C)n1)CN(CC(F)F)CC2
InChIInChI=1S/C14H21F2N3/c1-4-13-17-11-5-6-19(8-12(15)16)7-10(11)14(18-13)9(2)3/h9,12H,4-8H2,1-3H3
InChIKeyVHXLGQPVOGRQNL-UHFFFAOYSA-N
XLogP2.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

ethane;2-(2-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetonitrile
CID 176926740
4-(4-chlorophenyl)-2-ethyl-6-(3-methylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 134795073
5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 130739929
2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 171723497
2-(ethoxymethyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738982
4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 134791727
4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 103477262
4-[2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299248
2-[(3-fluorophenyl)methyl]-6-[(2R)-2-hydroxy-3-methylbutyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135816603
3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 102341869
5-ethyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 70919757
4-(4-chlorophenyl)-2-ethyl-7-[[4-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 134792624

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 177012131) is 6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCc1nc2c(c(C(C)C)n1)CN(CC(F)F)CC2.
What is the InChIKey of 6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VHXLGQPVOGRQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-4-13-17-11-5-6-19(8-12(15)16)7-10(11)14(18-13)9(2)3/h9,12H,4-8H2,1-3H3.
What are the key properties of 6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 269.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-2-ethyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 177012131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).