6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C20H18ClF3N6 — CID 25033576

IUPAC6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H18ClF3N6/c1-12(13-2-4-17(25-8-13)20(22,23)24)29-19-15-10-30(7-6-16(15)27-11-28-19)18-5-3-14(21)9-26-18/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,27,28,29)/t12-/m1/s1
InChIKeyVCVJHUNWPOOPQN-GFCCVEGCSA-N
MW434.85 g/mol
LogP4.67
Rot. Bonds4

About 6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25033576) has the molecular formula C20H18ClF3N6 and a molecular weight of 434.85 g/mol. Its IUPAC name is 6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID25033576
Molecular FormulaC20H18ClF3N6
Molecular Weight434.85 g/mol
Exact Mass434.12
IUPAC Name6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H18ClF3N6/c1-12(13-2-4-17(25-8-13)20(22,23)24)29-19-15-10-30(7-6-16(15)27-11-28-19)18-5-3-14(21)9-26-18/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,27,28,29)/t12-/m1/s1
InChIKeyVCVJHUNWPOOPQN-GFCCVEGCSA-N
XLogP4.67
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25033576) is 6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is VCVJHUNWPOOPQN-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18ClF3N6/c1-12(13-2-4-17(25-8-13)20(22,23)24)29-19-15-10-30(7-6-16(15)27-11-28-19)18-5-3-14(21)9-26-18/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,27,28,29)/t12-/m1/s1.
What are the key properties of 6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 434.85 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25033576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).