1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol

C18H18FN7O2 — CID 59548318

IUPAC1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol
SMILESCOc1ncc(Nc2ncc(C3(O)CC3)cc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C18H18FN7O2/c1-9-23-15(26-17(20)24-9)12-5-10(18(27)3-4-18)7-21-14(12)25-11-6-13(19)16(28-2)22-8-11/h5-8,27H,3-4H2,1-2H3,(H,21,25)(H2,20,23,24,26)
InChIKeyLDEKSEIDMAEWQY-UHFFFAOYSA-N
MW383.39 g/mol
LogP2.09
Rot. Bonds5

About 1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol

1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol (PubChem CID 59548318) has the molecular formula C18H18FN7O2 and a molecular weight of 383.39 g/mol. Its IUPAC name is 1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol
PubChem CID59548318
Molecular FormulaC18H18FN7O2
Molecular Weight383.39 g/mol
Exact Mass383.15
IUPAC Name1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol
SMILESCOc1ncc(Nc2ncc(C3(O)CC3)cc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C18H18FN7O2/c1-9-23-15(26-17(20)24-9)12-5-10(18(27)3-4-18)7-21-14(12)25-11-6-13(19)16(28-2)22-8-11/h5-8,27H,3-4H2,1-2H3,(H,21,25)(H2,20,23,24,26)
InChIKeyLDEKSEIDMAEWQY-UHFFFAOYSA-N
XLogP2.09
TPSA131.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol?
The IUPAC name of 1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol (CID 59548318) is 1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol?
The canonical SMILES for 1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol is COc1ncc(Nc2ncc(C3(O)CC3)cc2-c2nc(C)nc(N)n2)cc1F.
What is the InChIKey of 1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol?
The InChIKey is LDEKSEIDMAEWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O2/c1-9-23-15(26-17(20)24-9)12-5-10(18(27)3-4-18)7-21-14(12)25-11-6-13(19)16(28-2)22-8-11/h5-8,27H,3-4H2,1-2H3,(H,21,25)(H2,20,23,24,26).
What are the key properties of 1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol?
1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol has a molecular weight of 383.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]cyclopropan-1-ol is sourced from PubChem (CID 59548318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).