4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid

C17H25F3N4O2 — CID 118744107

IUPAC4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid
SMILESCc1nc(N2CCCC2)nc2c1CN(C(C)C)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4.C2HF3O2/c1-11(2)19-9-6-14-13(10-19)12(3)16-15(17-14)18-7-4-5-8-18;3-2(4,5)1(6)7/h11H,4-10H2,1-3H3;(H,6,7)
InChIKeyMVPRVORWRJPZLS-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.79
Rot. Bonds2

About 4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid

4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 118744107) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid
PubChem CID118744107
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid
SMILESCc1nc(N2CCCC2)nc2c1CN(C(C)C)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4.C2HF3O2/c1-11(2)19-9-6-14-13(10-19)12(3)16-15(17-14)18-7-4-5-8-18;3-2(4,5)1(6)7/h11H,4-10H2,1-3H3;(H,6,7)
InChIKeyMVPRVORWRJPZLS-UHFFFAOYSA-N
XLogP2.79
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid (CID 118744107) is 4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid is Cc1nc(N2CCCC2)nc2c1CN(C(C)C)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is MVPRVORWRJPZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4.C2HF3O2/c1-11(2)19-9-6-14-13(10-19)12(3)16-15(17-14)18-7-4-5-8-18;3-2(4,5)1(6)7/h11H,4-10H2,1-3H3;(H,6,7).
What are the key properties of 4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid?
4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 374.41 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).