4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine

C18H17F3N8O — CID 59198391

IUPAC4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)nc(Nc3ccncc3C(F)(F)F)n2)cn1
InChIInChI=1S/C18H17F3N8O/c19-18(20,21)12-10-23-2-1-13(12)26-17-27-14(11-8-24-16(22)25-9-11)7-15(28-17)29-3-5-30-6-4-29/h1-2,7-10H,3-6H2,(H2,22,24,25)(H,23,26,27,28)
InChIKeySOKCRFYATTXLSW-UHFFFAOYSA-N
MW418.38 g/mol
LogP2.51
Rot. Bonds4

About 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine

4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine (PubChem CID 59198391) has the molecular formula C18H17F3N8O and a molecular weight of 418.38 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
PubChem CID59198391
Molecular FormulaC18H17F3N8O
Molecular Weight418.38 g/mol
Exact Mass418.15
IUPAC Name4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)nc(Nc3ccncc3C(F)(F)F)n2)cn1
InChIInChI=1S/C18H17F3N8O/c19-18(20,21)12-10-23-2-1-13(12)26-17-27-14(11-8-24-16(22)25-9-11)7-15(28-17)29-3-5-30-6-4-29/h1-2,7-10H,3-6H2,(H2,22,24,25)(H,23,26,27,28)
InChIKeySOKCRFYATTXLSW-UHFFFAOYSA-N
XLogP2.51
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine (CID 59198391) is 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2cc(N3CCOCC3)nc(Nc3ccncc3C(F)(F)F)n2)cn1.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine?
The InChIKey is SOKCRFYATTXLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N8O/c19-18(20,21)12-10-23-2-1-13(12)26-17-27-14(11-8-24-16(22)25-9-11)7-15(28-17)29-3-5-30-6-4-29/h1-2,7-10H,3-6H2,(H2,22,24,25)(H,23,26,27,28).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine?
4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine has a molecular weight of 418.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 59198391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).