2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol

C19H21FN6O2 — CID 59548339

IUPAC2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
SMILESCOc1ncc(Nc2ncc(C(C)(C)O)cc2-c2cc(N)nc(C)n2)cc1F
InChIInChI=1S/C19H21FN6O2/c1-10-24-15(7-16(21)25-10)13-5-11(19(2,3)27)8-22-17(13)26-12-6-14(20)18(28-4)23-9-12/h5-9,27H,1-4H3,(H,22,26)(H2,21,24,25)
InChIKeyWRDZQSWCULXFCM-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.94
Rot. Bonds5

About 2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol

2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol (PubChem CID 59548339) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is 2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
PubChem CID59548339
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
SMILESCOc1ncc(Nc2ncc(C(C)(C)O)cc2-c2cc(N)nc(C)n2)cc1F
InChIInChI=1S/C19H21FN6O2/c1-10-24-15(7-16(21)25-10)13-5-11(19(2,3)27)8-22-17(13)26-12-6-14(20)18(28-4)23-9-12/h5-9,27H,1-4H3,(H,22,26)(H2,21,24,25)
InChIKeyWRDZQSWCULXFCM-UHFFFAOYSA-N
XLogP2.94
TPSA119.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol (CID 59548339) is 2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol is COc1ncc(Nc2ncc(C(C)(C)O)cc2-c2cc(N)nc(C)n2)cc1F.
What is the InChIKey of 2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
The InChIKey is WRDZQSWCULXFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-10-24-15(7-16(21)25-10)13-5-11(19(2,3)27)8-22-17(13)26-12-6-14(20)18(28-4)23-9-12/h5-9,27H,1-4H3,(H,22,26)(H2,21,24,25).
What are the key properties of 2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol has a molecular weight of 384.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 59548339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).