2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine

C19H21F3N6OS — CID 170171353

IUPAC2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N[C@H](C)c2cc(C(F)(F)F)cs2)c2cc(N3CCOCC3)ncc2n1
InChIInChI=1S/C19H21F3N6OS/c1-11(15-7-12(10-30-15)19(20,21)22)25-17-13-8-16(28-3-5-29-6-4-28)24-9-14(13)26-18(23-2)27-17/h7-11H,3-6H2,1-2H3,(H2,23,25,26,27)/t11-/m1/s1
InChIKeyJARHWFRIESHZDV-LLVKDONJSA-N
MW438.48 g/mol
LogP4.16
Rot. Bonds5

About 2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine

2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 170171353) has the molecular formula C19H21F3N6OS and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID170171353
Molecular FormulaC19H21F3N6OS
Molecular Weight438.48 g/mol
Exact Mass438.14
IUPAC Name2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N[C@H](C)c2cc(C(F)(F)F)cs2)c2cc(N3CCOCC3)ncc2n1
InChIInChI=1S/C19H21F3N6OS/c1-11(15-7-12(10-30-15)19(20,21)22)25-17-13-8-16(28-3-5-29-6-4-28)24-9-14(13)26-18(23-2)27-17/h7-11H,3-6H2,1-2H3,(H2,23,25,26,27)/t11-/m1/s1
InChIKeyJARHWFRIESHZDV-LLVKDONJSA-N
XLogP4.16
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine (CID 170171353) is 2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine is CNc1nc(N[C@H](C)c2cc(C(F)(F)F)cs2)c2cc(N3CCOCC3)ncc2n1.
What is the InChIKey of 2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is JARHWFRIESHZDV-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21F3N6OS/c1-11(15-7-12(10-30-15)19(20,21)22)25-17-13-8-16(28-3-5-29-6-4-28)24-9-14(13)26-18(23-2)27-17/h7-11H,3-6H2,1-2H3,(H2,23,25,26,27)/t11-/m1/s1.
What are the key properties of 2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine?
2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 438.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-morpholin-4-yl-4-N-[(1R)-1-[4-(trifluoromethyl)thiophen-2-yl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 170171353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).