7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine

C21H21ClF3N7 — CID 11419882

IUPAC7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCC1Cc2c(nc(N(C)C)nc2Nc2ccc(C(F)(F)F)nc2)CN1c1ncccc1Cl
InChIInChI=1S/C21H21ClF3N7/c1-12-9-14-16(11-32(12)19-15(22)5-4-8-26-19)29-20(31(2)3)30-18(14)28-13-6-7-17(27-10-13)21(23,24)25/h4-8,10,12H,9,11H2,1-3H3,(H,28,29,30)
InChIKeyDTAXNBXWIPTFTM-UHFFFAOYSA-N
MW463.90 g/mol
LogP4.70
Rot. Bonds4

About 7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine

7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 11419882) has the molecular formula C21H21ClF3N7 and a molecular weight of 463.90 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID11419882
Molecular FormulaC21H21ClF3N7
Molecular Weight463.90 g/mol
Exact Mass463.15
IUPAC Name7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCC1Cc2c(nc(N(C)C)nc2Nc2ccc(C(F)(F)F)nc2)CN1c1ncccc1Cl
InChIInChI=1S/C21H21ClF3N7/c1-12-9-14-16(11-32(12)19-15(22)5-4-8-26-19)29-20(31(2)3)30-18(14)28-13-6-7-17(27-10-13)21(23,24)25/h4-8,10,12H,9,11H2,1-3H3,(H,28,29,30)
InChIKeyDTAXNBXWIPTFTM-UHFFFAOYSA-N
XLogP4.70
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine (CID 11419882) is 7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine is CC1Cc2c(nc(N(C)C)nc2Nc2ccc(C(F)(F)F)nc2)CN1c1ncccc1Cl.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is DTAXNBXWIPTFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N7/c1-12-9-14-16(11-32(12)19-15(22)5-4-8-26-19)29-20(31(2)3)30-18(14)28-13-6-7-17(27-10-13)21(23,24)25/h4-8,10,12H,9,11H2,1-3H3,(H,28,29,30).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?
7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 463.90 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 11419882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).