5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol

C19H24ClN5O2 — CID 143946802

IUPAC5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol
SMILESCCC(CO)CCCNc1nc(N)nc(Cl)c1C#Cc1ccc(OC)nc1
InChIInChI=1S/C19H24ClN5O2/c1-3-13(12-26)5-4-10-22-18-15(17(20)24-19(21)25-18)8-6-14-7-9-16(27-2)23-11-14/h7,9,11,13,26H,3-5,10,12H2,1-2H3,(H3,21,22,24,25)
InChIKeyQYMWXEXJJLSXKI-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.73
Rot. Bonds8

About 5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol

5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol (PubChem CID 143946802) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol
PubChem CID143946802
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol
SMILESCCC(CO)CCCNc1nc(N)nc(Cl)c1C#Cc1ccc(OC)nc1
InChIInChI=1S/C19H24ClN5O2/c1-3-13(12-26)5-4-10-22-18-15(17(20)24-19(21)25-18)8-6-14-7-9-16(27-2)23-11-14/h7,9,11,13,26H,3-5,10,12H2,1-2H3,(H3,21,22,24,25)
InChIKeyQYMWXEXJJLSXKI-UHFFFAOYSA-N
XLogP2.73
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol?
The IUPAC name of 5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol (CID 143946802) is 5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol.
What is the SMILES notation for 5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol?
The canonical SMILES for 5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol is CCC(CO)CCCNc1nc(N)nc(Cl)c1C#Cc1ccc(OC)nc1.
What is the InChIKey of 5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol?
The InChIKey is QYMWXEXJJLSXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-3-13(12-26)5-4-10-22-18-15(17(20)24-19(21)25-18)8-6-14-7-9-16(27-2)23-11-14/h7,9,11,13,26H,3-5,10,12H2,1-2H3,(H3,21,22,24,25).
What are the key properties of 5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol?
5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol has a molecular weight of 389.89 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol is sourced from PubChem (CID 143946802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).