N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine

C17H16F3N5 — CID 135390680

IUPACN-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(-c2ccncc2C(F)(F)F)nc2cnccc12
InChIInChI=1S/C17H16F3N5/c1-16(2,3)25-15-11-5-7-22-9-13(11)23-14(24-15)10-4-6-21-8-12(10)17(18,19)20/h4-9H,1-3H3,(H,23,24,25)
InChIKeyOSKLRIJWIBDPGW-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.32
Rot. Bonds2

About N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine

N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135390680) has the molecular formula C17H16F3N5 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID135390680
Molecular FormulaC17H16F3N5
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC NameN-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(-c2ccncc2C(F)(F)F)nc2cnccc12
InChIInChI=1S/C17H16F3N5/c1-16(2,3)25-15-11-5-7-22-9-13(11)23-14(24-15)10-4-6-21-8-12(10)17(18,19)20/h4-9H,1-3H3,(H,23,24,25)
InChIKeyOSKLRIJWIBDPGW-UHFFFAOYSA-N
XLogP4.32
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine (CID 135390680) is N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine is CC(C)(C)Nc1nc(-c2ccncc2C(F)(F)F)nc2cnccc12.
What is the InChIKey of N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is OSKLRIJWIBDPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5/c1-16(2,3)25-15-11-5-7-22-9-13(11)23-14(24-15)10-4-6-21-8-12(10)17(18,19)20/h4-9H,1-3H3,(H,23,24,25).
What are the key properties of N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine?
N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 347.34 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135390680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).