6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine

C19H17ClF3N7O — CID 59507640

IUPAC6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine
SMILESNc1cc(Cl)c(-c2cc(Nc3ccncc3C(F)(F)F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H17ClF3N7O/c20-13-7-16(24)26-9-11(13)15-8-17(29-18(28-15)30-3-5-31-6-4-30)27-14-1-2-25-10-12(14)19(21,22)23/h1-2,7-10H,3-6H2,(H2,24,26)(H,25,27,28,29)
InChIKeyLQBJUDVAWFTHGF-UHFFFAOYSA-N
MW451.84 g/mol
LogP3.77
Rot. Bonds4

About 6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine

6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine (PubChem CID 59507640) has the molecular formula C19H17ClF3N7O and a molecular weight of 451.84 g/mol. Its IUPAC name is 6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine
PubChem CID59507640
Molecular FormulaC19H17ClF3N7O
Molecular Weight451.84 g/mol
Exact Mass451.11
IUPAC Name6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine
SMILESNc1cc(Cl)c(-c2cc(Nc3ccncc3C(F)(F)F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H17ClF3N7O/c20-13-7-16(24)26-9-11(13)15-8-17(29-18(28-15)30-3-5-31-6-4-30)27-14-1-2-25-10-12(14)19(21,22)23/h1-2,7-10H,3-6H2,(H2,24,26)(H,25,27,28,29)
InChIKeyLQBJUDVAWFTHGF-UHFFFAOYSA-N
XLogP3.77
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine (CID 59507640) is 6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine is Nc1cc(Cl)c(-c2cc(Nc3ccncc3C(F)(F)F)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine?
The InChIKey is LQBJUDVAWFTHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N7O/c20-13-7-16(24)26-9-11(13)15-8-17(29-18(28-15)30-3-5-31-6-4-30)27-14-1-2-25-10-12(14)19(21,22)23/h1-2,7-10H,3-6H2,(H2,24,26)(H,25,27,28,29).
What are the key properties of 6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine?
6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine has a molecular weight of 451.84 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 59507640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).