5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine

C15H18F3N5O — CID 147119016

IUPAC5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Cc2cnc(N)nc2N)cc1C(F)(F)F
InChIInChI=1S/C15H18F3N5O/c1-7(2)11-8(4-9-6-21-14(20)23-12(9)19)5-10(15(16,17)18)13(22-11)24-3/h5-7H,4H2,1-3H3,(H4,19,20,21,23)
InChIKeyBNZHYPGQMFCRBL-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.78
Rot. Bonds4

About 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine

5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine (PubChem CID 147119016) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
PubChem CID147119016
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Cc2cnc(N)nc2N)cc1C(F)(F)F
InChIInChI=1S/C15H18F3N5O/c1-7(2)11-8(4-9-6-21-14(20)23-12(9)19)5-10(15(16,17)18)13(22-11)24-3/h5-7H,4H2,1-3H3,(H4,19,20,21,23)
InChIKeyBNZHYPGQMFCRBL-UHFFFAOYSA-N
XLogP2.78
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine (CID 147119016) is 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine is COc1nc(C(C)C)c(Cc2cnc(N)nc2N)cc1C(F)(F)F.
What is the InChIKey of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is BNZHYPGQMFCRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-7(2)11-8(4-9-6-21-14(20)23-12(9)19)5-10(15(16,17)18)13(22-11)24-3/h5-7H,4H2,1-3H3,(H4,19,20,21,23).
What are the key properties of 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?
5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 341.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 147119016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).